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

C14H15ClN4O — CID 125444868

IUPAC(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCn1nc(CNC(=O)[C@H]2C=CCN2)c2c(Cl)cccc21
InChIInChI=1S/C14H15ClN4O/c1-19-12-6-2-4-9(15)13(12)11(18-19)8-17-14(20)10-5-3-7-16-10/h2-6,10,16H,7-8H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeyNPKOAYQQSBKHJP-SNVBAGLBSA-N
MW290.75 g/mol
LogP1.37
Rot. Bonds3

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

(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 125444868) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is (2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID125444868
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCn1nc(CNC(=O)[C@H]2C=CCN2)c2c(Cl)cccc21
InChIInChI=1S/C14H15ClN4O/c1-19-12-6-2-4-9(15)13(12)11(18-19)8-17-14(20)10-5-3-7-16-10/h2-6,10,16H,7-8H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeyNPKOAYQQSBKHJP-SNVBAGLBSA-N
XLogP1.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide
CID 155498138
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]-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]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97206639
N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 119068533
(2R)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125179505
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
N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911026
3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]-4-chloro-1-methylindazole;dihydrochloride
CID 154896453

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 125444868) is (2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is Cn1nc(CNC(=O)[C@H]2C=CCN2)c2c(Cl)cccc21.
What is the InChIKey of (2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is NPKOAYQQSBKHJP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-19-12-6-2-4-9(15)13(12)11(18-19)8-17-14(20)10-5-3-7-16-10/h2-6,10,16H,7-8H2,1H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 125444868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).