(2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide

C19H19N5O2 — CID 124606315

IUPAC(2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N5O2/c25-18(21-15-8-9-16-13(11-15)12-20-23-16)17-7-4-10-24(17)19(26)22-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,17H,4,7,10H2,(H,20,23)(H,21,25)(H,22,26)/t17-/m0/s1
InChIKeyYPEYZLNUPZETPX-KRWDZBQOSA-N
MW349.39 g/mol
LogP3.20
Rot. Bonds3

About (2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide

(2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 124606315) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID124606315
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N5O2/c25-18(21-15-8-9-16-13(11-15)12-20-23-16)17-7-4-10-24(17)19(26)22-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,17H,4,7,10H2,(H,20,23)(H,21,25)(H,22,26)/t17-/m0/s1
InChIKeyYPEYZLNUPZETPX-KRWDZBQOSA-N
XLogP3.20
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 124606314
tert-butyl (2R)-2-(1H-indazol-5-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 117074032
(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
CID 117074033
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792295
3-[2,6-dihydroxy-4-[2-(1H-indazol-5-ylcarbamoyl)pyrrolidine-1-carbonyl]benzoyl]-4-hydroxybenzoic acid
CID 71082186
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
3-amino-N-(1H-indazol-5-yl)piperidine-1-carboxamide;hydrochloride
CID 171686977
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 124606315) is (2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is YPEYZLNUPZETPX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(21-15-8-9-16-13(11-15)12-20-23-16)17-7-4-10-24(17)19(26)22-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,17H,4,7,10H2,(H,20,23)(H,21,25)(H,22,26)/t17-/m0/s1.
What are the key properties of (2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
(2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 124606315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).