N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

C22H19N7O2 — CID 71259598

IUPACN-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnn([C@@H](CO)c2ccccc2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C22H19N7O2/c30-13-20(14-4-2-1-3-5-14)29-12-17(11-25-29)26-22(31)21-18-7-6-15(8-19(18)27-28-21)16-9-23-24-10-16/h1-12,20,30H,13H2,(H,23,24)(H,26,31)(H,27,28)/t20-/m0/s1
InChIKeyKOYKWQIHXSRYBQ-FQEVSTJZSA-N
MW413.44 g/mol
LogP2.98
Rot. Bonds6

About N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 71259598) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID71259598
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC NameN-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnn([C@@H](CO)c2ccccc2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12
InChIInChI=1S/C22H19N7O2/c30-13-20(14-4-2-1-3-5-14)29-12-17(11-25-29)26-22(31)21-18-7-6-15(8-19(18)27-28-21)16-9-23-24-10-16/h1-12,20,30H,13H2,(H,23,24)(H,26,31)(H,27,28)/t20-/m0/s1
InChIKeyKOYKWQIHXSRYBQ-FQEVSTJZSA-N
XLogP2.98
TPSA124.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (CID 71259598) is N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is O=C(Nc1cnn([C@@H](CO)c2ccccc2)c1)c1n[nH]c2cc(-c3cn[nH]c3)ccc12.
What is the InChIKey of N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is KOYKWQIHXSRYBQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19N7O2/c30-13-20(14-4-2-1-3-5-14)29-12-17(11-25-29)26-22(31)21-18-7-6-15(8-19(18)27-28-21)16-9-23-24-10-16/h1-12,20,30H,13H2,(H,23,24)(H,26,31)(H,27,28)/t20-/m0/s1.
What are the key properties of N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R)-2-hydroxy-1-phenylethyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).