2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide

C19H23N5O2 — CID 167877600

IUPAC2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
SMILESNc1cccc2c1ccn2CC(=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C19H23N5O2/c20-15-3-1-4-17-14(15)5-8-23(17)12-19(26)22-16-9-13(10-18(16)25)11-24-7-2-6-21-24/h1-8,13,16,18,25H,9-12,20H2,(H,22,26)/t13?,16-,18-/m1/s1
InChIKeyRFSLLQYWDSFIRX-FMRBYIFOSA-N
MW353.43 g/mol
LogP1.38
Rot. Bonds5

About 2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide

2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide (PubChem CID 167877600) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
PubChem CID167877600
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
SMILESNc1cccc2c1ccn2CC(=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C19H23N5O2/c20-15-3-1-4-17-14(15)5-8-23(17)12-19(26)22-16-9-13(10-18(16)25)11-24-7-2-6-21-24/h1-8,13,16,18,25H,9-12,20H2,(H,22,26)/t13?,16-,18-/m1/s1
InChIKeyRFSLLQYWDSFIRX-FMRBYIFOSA-N
XLogP1.38
TPSA98.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide (CID 167877600) is 2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide is Nc1cccc2c1ccn2CC(=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O.
What is the InChIKey of 2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
The InChIKey is RFSLLQYWDSFIRX-FMRBYIFOSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-15-3-1-4-17-14(15)5-8-23(17)12-19(26)22-16-9-13(10-18(16)25)11-24-7-2-6-21-24/h1-8,13,16,18,25H,9-12,20H2,(H,22,26)/t13?,16-,18-/m1/s1.
What are the key properties of 2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide?
2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide is sourced from PubChem (CID 167877600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).