3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide

C117H129F6N25O12S2 — CID 167534783

About 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide (PubChem CID 167534783) has the molecular formula C117H129F6N25O12S2 and a molecular weight of 2255.60 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167534783
• Molecular Formula: C117H129F6N25O12S2
• Molecular Weight: 2255.60 g/mol
• Exact Mass: 2253.96
• IUPAC Name: 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C5)N6)ccc4C3)oc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)cc(F)c4C3)oc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)cc(F)c4C3)oc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@@H](C(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@H](C(F)F)C5)ccc4C3)sc2n1
• InChI: InChI=1S/C25H29N5O2.C24H26FN5O3.2C23H25F2N5O2S.C22H24FN5O3/c1-14-2-9-21-22(26)23(32-25(21)27-14)24(31)29-17-5-3-16-11-20(8-4-15(16)10-17)30-12-18-6-7-19(13-30)28-18;1-12-2-5-17-21(26)22(33-24(17)27-12)23(31)29-15-6-18-19(25)7-16(8-20(18)32-11-15)30-9-13-3-4-14(10-30)28-13;2*1-11-2-5-15-19(27)20(33-23(15)28-11)22(31)29-13-6-12-3-4-14(7-18(12)32-10-13)30-8-16(21(24)25)17(26)9-30;1-12-2-3-15-19(24)20(31-22(15)26-12)21(29)27-13-8-16-17(23)9-14(10-18(16)30-11-13)28-6-4-25-5-7-28/h2,4,8-9,11,17-19,28H,3,5-7,10,12-13,26H2,1H3,(H,29,31);2,5,7-8,13-15,28H,3-4,6,9-11,26H2,1H3,(H,29,31);2*2-5,7,13,16-17,21H,6,8-10,26-27H2,1H3,(H,29,31);2-3,9-10,13,25H,4-8,11,24H2,1H3,(H,27,29)/t17-,18?,19?;13?,14?,15-;13-,16+,17-;13-,16-,17+;13-/m01111/s1
• InChIKey: AKSQNBATDQSBPT-BSMFYVMXSA-N
• XLogP: 13.38
• TPSA: 520.72 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 34
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2255.60
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide (CID 167534783) is 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CCC(C5)N6)ccc4C3)oc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)cc(F)c4C3)oc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCNCC5)cc(F)c4C3)oc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@@H](C(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@H](C(F)F)C5)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?

The InChIKey is AKSQNBATDQSBPT-BSMFYVMXSA-N. The full InChI is InChI=1S/C25H29N5O2.C24H26FN5O3.2C23H25F2N5O2S.C22H24FN5O3/c1-14-2-9-21-22(26)23(32-25(21)27-14)24(31)29-17-5-3-16-11-20(8-4-15(16)10-17)30-12-18-6-7-19(13-30)28-18;1-12-2-5-17-21(26)22(33-24(17)27-12)23(31)29-15-6-18-19(25)7-16(8-20(18)32-11-15)30-9-13-3-4-14(10-30)28-13;2*1-11-2-5-15-19(27)20(33-23(15)28-11)22(31)29-13-6-12-3-4-14(7-18(12)32-10-13)30-8-16(21(24)25)17(26)9-30;1-12-2-3-15-19(24)20(31-22(15)26-12)21(29)27-13-8-16-17(23)9-14(10-18(16)30-11-13)28-6-4-25-5-7-28/h2,4,8-9,11,17-19,28H,3,5-7,10,12-13,26H2,1H3,(H,29,31);2,5,7-8,13-15,28H,3-4,6,9-11,26H2,1H3,(H,29,31);2*2-5,7,13,16-17,21H,6,8-10,26-27H2,1H3,(H,29,31);2-3,9-10,13,25H,4-8,11,24H2,1H3,(H,27,29)/t17-,18?,19?;13?,14?,15-;13-,16+,17-;13-,16-,17+;13-/m01111/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 2255.60 g/mol, XLogP of 13.38, 17 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167534783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).