(2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide

C16H15ClN4O — CID 70275587

IUPAC(2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1n[nH]c2c(Cl)cccc12
InChIInChI=1S/C16H15ClN4O/c17-12-8-4-7-11-14(12)20-21-15(11)19-16(22)13(18)9-10-5-2-1-3-6-10/h1-8,13H,9,18H2,(H2,19,20,21,22)/t13-/m0/s1
InChIKeyGIRNBNLWUGRWBY-ZDUSSCGKSA-N
MW314.78 g/mol
LogP2.72
Rot. Bonds4

About (2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide

(2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide (PubChem CID 70275587) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is (2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide
PubChem CID70275587
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name(2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1n[nH]c2c(Cl)cccc12
InChIInChI=1S/C16H15ClN4O/c17-12-8-4-7-11-14(12)20-21-15(11)19-16(22)13(18)9-10-5-2-1-3-6-10/h1-8,13H,9,18H2,(H2,19,20,21,22)/t13-/m0/s1
InChIKeyGIRNBNLWUGRWBY-ZDUSSCGKSA-N
XLogP2.72
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22319691
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CID 156906990
CID 156906990
CID 156906991
CID 156906991
CID 156906993
CID 156906993
CID 62686566
CID 62686566
CID 172470391
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CID 135621386
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CID 97084492
CID 97084492

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide (CID 70275587) is (2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)Nc1n[nH]c2c(Cl)cccc12.
What is the InChIKey of (2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide?
The InChIKey is GIRNBNLWUGRWBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-12-8-4-7-11-14(12)20-21-15(11)19-16(22)13(18)9-10-5-2-1-3-6-10/h1-8,13H,9,18H2,(H2,19,20,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide has a molecular weight of 314.78 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 70275587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).