(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide

C20H21ClN4O — CID 155498138

IUPAC(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide
SMILESCn1nc(CNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)c2c(Cl)cccc21
InChIInChI=1S/C20H21ClN4O/c1-25-18-9-5-8-14(21)19(18)17(24-25)12-22-20(26)16-11-10-15(23-16)13-6-3-2-4-7-13/h2-9,15-16,23H,10-12H2,1H3,(H,22,26)/t15-,16-/m1/s1
InChIKeyACUKHTXDXRZITH-HZPDHXFCSA-N
MW368.87 g/mol
LogP3.34
Rot. Bonds4

About (2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide

(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide (PubChem CID 155498138) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is (2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide
PubChem CID155498138
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide
SMILESCn1nc(CNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)c2c(Cl)cccc21
InChIInChI=1S/C20H21ClN4O/c1-25-18-9-5-8-14(21)19(18)17(24-25)12-22-20(26)16-11-10-15(23-16)13-6-3-2-4-7-13/h2-9,15-16,23H,10-12H2,1H3,(H,22,26)/t15-,16-/m1/s1
InChIKeyACUKHTXDXRZITH-HZPDHXFCSA-N
XLogP3.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444868
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91792577
N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97206639
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide
CID 118795940
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 119064447
(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 126434222
N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 119068533
(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 146049803
(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 163333725
(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 155497132
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 122571121
(4aR,6R,8aS)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-6-morpholin-4-yl-2,3,4,4a,5,6,7,8-octahydro-1H-isoquinoline-8a-carboxamide;dihydrochloride
CID 154922899

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide (CID 155498138) is (2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide is Cn1nc(CNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)c2c(Cl)cccc21.
What is the InChIKey of (2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide?
The InChIKey is ACUKHTXDXRZITH-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-25-18-9-5-8-14(21)19(18)17(24-25)12-22-20(26)16-11-10-15(23-16)13-6-3-2-4-7-13/h2-9,15-16,23H,10-12H2,1H3,(H,22,26)/t15-,16-/m1/s1.
What are the key properties of (2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide?
(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155498138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).