4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

C20H20N6OS — CID 58146819

IUPAC4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESN#Cc1cnc(N2[C@@H]3CC[C@H]2CC(Nc2c(C(N)=O)cnc4c2C=CC4)C3)s1
InChIInChI=1S/C20H20N6OS/c21-8-14-9-24-20(28-14)26-12-4-5-13(26)7-11(6-12)25-18-15-2-1-3-17(15)23-10-16(18)19(22)27/h1-2,9-13H,3-7H2,(H2,22,27)(H,23,25)/t11?,12-,13+
InChIKeyVFUDYZLUTGBHCW-YHWZYXNKSA-N
MW392.49 g/mol
LogP2.69
Rot. Bonds4

About 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 58146819) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID58146819
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESN#Cc1cnc(N2[C@@H]3CC[C@H]2CC(Nc2c(C(N)=O)cnc4c2C=CC4)C3)s1
InChIInChI=1S/C20H20N6OS/c21-8-14-9-24-20(28-14)26-12-4-5-13(26)7-11(6-12)25-18-15-2-1-3-17(15)23-10-16(18)19(22)27/h1-2,9-13H,3-7H2,(H2,22,27)(H,23,25)/t11?,12-,13+
InChIKeyVFUDYZLUTGBHCW-YHWZYXNKSA-N
XLogP2.69
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (CID 58146819) is 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is N#Cc1cnc(N2[C@@H]3CC[C@H]2CC(Nc2c(C(N)=O)cnc4c2C=CC4)C3)s1.
What is the InChIKey of 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is VFUDYZLUTGBHCW-YHWZYXNKSA-N. The full InChI is InChI=1S/C20H20N6OS/c21-8-14-9-24-20(28-14)26-12-4-5-13(26)7-11(6-12)25-18-15-2-1-3-17(15)23-10-16(18)19(22)27/h1-2,9-13H,3-7H2,(H2,22,27)(H,23,25)/t11?,12-,13+.
What are the key properties of 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 58146819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).