(1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide

C20H24N4O3 — CID 162637932

IUPAC(1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide
SMILESO=C(Cc1ccn[nH]1)N[C@H]1C[C@H](C(=O)NC2Cc3ccccc3C2)C[C@@H]1O
InChIInChI=1S/C20H24N4O3/c25-18-10-14(9-17(18)23-19(26)11-15-5-6-21-24-15)20(27)22-16-7-12-3-1-2-4-13(12)8-16/h1-6,14,16-18,25H,7-11H2,(H,21,24)(H,22,27)(H,23,26)/t14-,17-,18-/m0/s1
InChIKeyCTQFCWLELNBLJN-WBAXXEDZSA-N
MW368.44 g/mol
LogP0.49
Rot. Bonds5

About (1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide

(1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide (PubChem CID 162637932) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide
PubChem CID162637932
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide
SMILESO=C(Cc1ccn[nH]1)N[C@H]1C[C@H](C(=O)NC2Cc3ccccc3C2)C[C@@H]1O
InChIInChI=1S/C20H24N4O3/c25-18-10-14(9-17(18)23-19(26)11-15-5-6-21-24-15)20(27)22-16-7-12-3-1-2-4-13(12)8-16/h1-6,14,16-18,25H,7-11H2,(H,21,24)(H,22,27)(H,23,26)/t14-,17-,18-/m0/s1
InChIKeyCTQFCWLELNBLJN-WBAXXEDZSA-N
XLogP0.49
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide (CID 162637932) is (1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide is O=C(Cc1ccn[nH]1)N[C@H]1C[C@H](C(=O)NC2Cc3ccccc3C2)C[C@@H]1O.
What is the InChIKey of (1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide?
The InChIKey is CTQFCWLELNBLJN-WBAXXEDZSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-18-10-14(9-17(18)23-19(26)11-15-5-6-21-24-15)20(27)22-16-7-12-3-1-2-4-13(12)8-16/h1-6,14,16-18,25H,7-11H2,(H,21,24)(H,22,27)(H,23,26)/t14-,17-,18-/m0/s1.
What are the key properties of (1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide?
(1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 162637932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).