N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

C22H18N8O2 — CID 71513430

IUPACN-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESNC(=O)c1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cn2)c1
InChIInChI=1S/C22H18N8O2/c23-21(31)15-3-1-2-13(6-15)11-30-12-17(10-26-30)27-22(32)20-18-5-4-14(7-19(18)28-29-20)16-8-24-25-9-16/h1-10,12H,11H2,(H2,23,31)(H,24,25)(H,27,32)(H,28,29)
InChIKeyDYDDWNMITAAXDF-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.55
Rot. Bonds6

About N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 71513430) has the molecular formula C22H18N8O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID71513430
Molecular FormulaC22H18N8O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESNC(=O)c1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cn2)c1
InChIInChI=1S/C22H18N8O2/c23-21(31)15-3-1-2-13(6-15)11-30-12-17(10-26-30)27-22(32)20-18-5-4-14(7-19(18)28-29-20)16-8-24-25-9-16/h1-10,12H,11H2,(H2,23,31)(H,24,25)(H,27,32)(H,28,29)
InChIKeyDYDDWNMITAAXDF-UHFFFAOYSA-N
XLogP2.55
TPSA147.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (CID 71513430) is N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is NC(=O)c1cccc(Cn2cc(NC(=O)c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cn2)c1.
What is the InChIKey of N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is DYDDWNMITAAXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O2/c23-21(31)15-3-1-2-13(6-15)11-30-12-17(10-26-30)27-22(32)20-18-5-4-14(7-19(18)28-29-20)16-8-24-25-9-16/h1-10,12H,11H2,(H2,23,31)(H,24,25)(H,27,32)(H,28,29).
What are the key properties of N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-carbamoylphenyl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 71513430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).