1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide

C19H23N5O2 — CID 146113832

About 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide

1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide (PubChem CID 146113832) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide.

Molecular Properties

• Compound Name: 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide
• PubChem CID: 146113832
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide
• SMILES: N#Cc1cc(C(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n2c1CCCC2
• InChI: InChI=1S/C19H23N5O2/c20-11-14-10-17(24-7-2-1-4-16(14)24)19(26)22-15-8-13(9-18(15)25)12-23-6-3-5-21-23/h3,5-6,10,13,15,18,25H,1-2,4,7-9,12H2,(H,22,26)/t13?,15-,18-/m1/s1
• InChIKey: BVNNABGJFLDIPW-HQKHBYFDSA-N
• XLogP: 1.46
• TPSA: 95.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide?

The IUPAC name of 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide (CID 146113832) is 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide.

What is the SMILES notation for 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide?

The canonical SMILES for 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide is N#Cc1cc(C(=O)N[C@@H]2CC(Cn3cccn3)C[C@H]2O)n2c1CCCC2.

What is the InChIKey of 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide?

The InChIKey is BVNNABGJFLDIPW-HQKHBYFDSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-11-14-10-17(24-7-2-1-4-16(14)24)19(26)22-15-8-13(9-18(15)25)12-23-6-3-5-21-23/h3,5-6,10,13,15,18,25H,1-2,4,7-9,12H2,(H,22,26)/t13?,15-,18-/m1/s1.

What are the key properties of 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide?

1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide is sourced from PubChem (CID 146113832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).