N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide

C22H21N5O — CID 118960250

IUPACN-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C22H21N5O/c1-27-13-17(12-23-27)15-4-2-14(3-5-15)10-21-19-11-16(6-9-20(19)25-26-21)22(28)24-18-7-8-18/h2-6,9,11-13,18H,7-8,10H2,1H3,(H,24,28)(H,25,26)
InChIKeyQOHBWKYBTSWNGX-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.45
Rot. Bonds5

About N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide

N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide (PubChem CID 118960250) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
PubChem CID118960250
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C22H21N5O/c1-27-13-17(12-23-27)15-4-2-14(3-5-15)10-21-19-11-16(6-9-20(19)25-26-21)22(28)24-18-7-8-18/h2-6,9,11-13,18H,7-8,10H2,1H3,(H,24,28)(H,25,26)
InChIKeyQOHBWKYBTSWNGX-UHFFFAOYSA-N
XLogP3.45
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

PF-477736
CID 135565545
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.0^{4,13]trideca-1(12),2,4,6,8(13)-pentaen-6-yl]acetamide
CID 135984730
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71267243
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
CID 130301863
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide (CID 118960250) is N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)NC5CC5)cc34)cc2)cn1.
What is the InChIKey of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The InChIKey is QOHBWKYBTSWNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-27-13-17(12-23-27)15-4-2-14(3-5-15)10-21-19-11-16(6-9-20(19)25-26-21)22(28)24-18-7-8-18/h2-6,9,11-13,18H,7-8,10H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 118960250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).