3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide

C125H143ClN22O11S — CID 167545923

About 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide

3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide (PubChem CID 167545923) has the molecular formula C125H143ClN22O11S and a molecular weight of 2197.18 g/mol. Its IUPAC name is 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide
• PubChem CID: 167545923
• Molecular Formula: C125H143ClN22O11S
• Molecular Weight: 2197.18 g/mol
• Exact Mass: 2195.07
• IUPAC Name: 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide
• SMILES: C[C@H](Nc1ccc(C(=O)N[C@H]2COc3cc(N4CCNCC4)ccc3C2)cn1)c1ccccc1.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCNCC5)cc(Cl)c4C3)sc2n1.O=C(N[C@H]1COc2cc(N3CC4CCC(C4)C3)ccc2C1)c1cnc2c(c1)CCCN2.O=C(N[C@H]1COc2cc(N3CC4CCC(C4)C3)ccc2C1)c1cnc2c(c1)CCCO2.O=C(N[C@H]1COc2cc(N3CCNCC3)ccc2C1)c1ccc(NCc2ccccc2)nc1
• InChI: InChI=1S/C27H31N5O2.C26H29N5O2.C25H30N4O2.C25H29N3O3.C22H24ClN5O2S/c1-19(20-5-3-2-4-6-20)30-26-10-8-22(17-29-26)27(33)31-23-15-21-7-9-24(16-25(21)34-18-23)32-13-11-28-12-14-32;32-26(21-7-9-25(29-17-21)28-16-19-4-2-1-3-5-19)30-22-14-20-6-8-23(15-24(20)33-18-22)31-12-10-27-11-13-31;30-25(20-9-19-2-1-7-26-24(19)27-12-20)28-21-10-18-5-6-22(11-23(18)31-15-21)29-13-16-3-4-17(8-16)14-29;29-24(20-9-19-2-1-7-30-25(19)26-12-20)27-21-10-18-5-6-22(11-23(18)31-15-21)28-13-16-3-4-17(8-16)14-28;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/h2-10,16-17,19,23,28H,11-15,18H2,1H3,(H,29,30)(H,31,33);1-9,15,17,22,27H,10-14,16,18H2,(H,28,29)(H,30,32);5-6,9,11-12,16-17,21H,1-4,7-8,10,13-15H2,(H,26,27)(H,28,30);5-6,9,11-12,16-17,21H,1-4,7-8,10,13-15H2,(H,27,29);2-3,9-10,13,25H,4-8,11,24H2,1H3,(H,27,29)/t19-,23+;22-;2*16?,17?,21-;13-/m01110/s1
• InChIKey: BUDHRQWGHYMTFA-NUDMOKGGSA-N
• XLogP: 16.00
• TPSA: 379.73 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2197.18
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide?

The IUPAC name of 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide (CID 167545923) is 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide?

The canonical SMILES for 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide is C[C@H](Nc1ccc(C(=O)N[C@H]2COc3cc(N4CCNCC4)ccc3C2)cn1)c1ccccc1.Cc1ccc2c(N)c(C(=O)N[C@@H]3COc4cc(N5CCNCC5)cc(Cl)c4C3)sc2n1.O=C(N[C@H]1COc2cc(N3CC4CCC(C4)C3)ccc2C1)c1cnc2c(c1)CCCN2.O=C(N[C@H]1COc2cc(N3CC4CCC(C4)C3)ccc2C1)c1cnc2c(c1)CCCO2.O=C(N[C@H]1COc2cc(N3CCNCC3)ccc2C1)c1ccc(NCc2ccccc2)nc1.

What is the InChIKey of 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide?

The InChIKey is BUDHRQWGHYMTFA-NUDMOKGGSA-N. The full InChI is InChI=1S/C27H31N5O2.C26H29N5O2.C25H30N4O2.C25H29N3O3.C22H24ClN5O2S/c1-19(20-5-3-2-4-6-20)30-26-10-8-22(17-29-26)27(33)31-23-15-21-7-9-24(16-25(21)34-18-23)32-13-11-28-12-14-32;32-26(21-7-9-25(29-17-21)28-16-19-4-2-1-3-5-19)30-22-14-20-6-8-23(15-24(20)33-18-22)31-12-10-27-11-13-31;30-25(20-9-19-2-1-7-26-24(19)27-12-20)28-21-10-18-5-6-22(11-23(18)31-15-21)29-13-16-3-4-17(8-16)14-29;29-24(20-9-19-2-1-7-30-25(19)26-12-20)27-21-10-18-5-6-22(11-23(18)31-15-21)28-13-16-3-4-17(8-16)14-28;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/h2-10,16-17,19,23,28H,11-15,18H2,1H3,(H,29,30)(H,31,33);1-9,15,17,22,27H,10-14,16,18H2,(H,28,29)(H,30,32);5-6,9,11-12,16-17,21H,1-4,7-8,10,13-15H2,(H,26,27)(H,28,30);5-6,9,11-12,16-17,21H,1-4,7-8,10,13-15H2,(H,27,29);2-3,9-10,13,25H,4-8,11,24H2,1H3,(H,27,29)/t19-,23+;22-;2*16?,17?,21-;13-/m01110/s1.

What are the key properties of 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide?

3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide has a molecular weight of 2197.18 g/mol, XLogP of 16.00, 21 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3S)-5-chloro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxamide;N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide;6-(benzylamino)-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[(1S)-1-phenylethyl]amino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167545923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).