N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide

C16H15ClN6O — CID 166320138

IUPACN-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccnc(Cl)n2)C1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H15ClN6O/c17-16-18-7-5-13(20-16)23-8-6-10(9-23)19-15(24)14-11-3-1-2-4-12(11)21-22-14/h1-5,7,10H,6,8-9H2,(H,19,24)(H,21,22)/t10-/m0/s1
InChIKeyAEKNFKNHZHHNSJ-JTQLQIEISA-N
MW342.79 g/mol
LogP2.02
Rot. Bonds3

About N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide

N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide (PubChem CID 166320138) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
PubChem CID166320138
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC NameN-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccnc(Cl)n2)C1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H15ClN6O/c17-16-18-7-5-13(20-16)23-8-6-10(9-23)19-15(24)14-11-3-1-2-4-12(11)21-22-14/h1-5,7,10H,6,8-9H2,(H,19,24)(H,21,22)/t10-/m0/s1
InChIKeyAEKNFKNHZHHNSJ-JTQLQIEISA-N
XLogP2.02
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-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

N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-indazole-3-carboxamide
CID 167764107
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 75834351
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1H-indazole-3-carboxamide
CID 167983413
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
N-(1-methyl-2-methylidenepiperidin-4-yl)-1H-indazole-3-carboxamide
CID 89010317
[1-(2-chloropyrimidin-4-yl)azetidin-3-yl]carbamic acid
CID 151158754
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
N-(oxan-3-yl)-1H-indazole-3-carboxamide
CID 63611564
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
N-(1-pyridin-2-ylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 90621383

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide (CID 166320138) is N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide is O=C(N[C@H]1CCN(c2ccnc(Cl)n2)C1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is AEKNFKNHZHHNSJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15ClN6O/c17-16-18-7-5-13(20-16)23-8-6-10(9-23)19-15(24)14-11-3-1-2-4-12(11)21-22-14/h1-5,7,10H,6,8-9H2,(H,19,24)(H,21,22)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide?
N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166320138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).