3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C25H27N5O3S — CID 167225014

About 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167225014) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167225014
• Molecular Formula: C25H27N5O3S
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.18
• IUPAC Name: 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(C56CC7CNCC(CO5)N76)ccc4C3)sc2n1
• InChI: InChI=1S/C25H27N5O3S/c1-13-2-5-19-21(26)22(34-24(19)28-13)23(31)29-16-6-14-3-4-15(7-20(14)32-11-16)25-8-17-9-27-10-18(12-33-25)30(17)25/h2-5,7,16-18,27H,6,8-12,26H2,1H3,(H,29,31)/t16-,17?,18?,25?/m1/s1
• InChIKey: QHFUTTJGJUXJJI-PCRYMVCDSA-N
• XLogP: 2.15
• TPSA: 101.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 167225014) is 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(C56CC7CNCC(CO5)N76)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is QHFUTTJGJUXJJI-PCRYMVCDSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-13-2-5-19-21(26)22(34-24(19)28-13)23(31)29-16-6-14-3-4-15(7-20(14)32-11-16)25-8-17-9-27-10-18(12-33-25)30(17)25/h2-5,7,16-18,27H,6,8-12,26H2,1H3,(H,29,31)/t16-,17?,18?,25?/m1/s1.

What are the key properties of 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-methyl-N-[(3R)-7-(4-oxa-8,10-diazatricyclo[4.3.1.03,10]decan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167225014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).