(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H18N6O — CID 78858969

IUPAC(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCN(c4ncccn4)CC3)c2c1
InChIInChI=1S/C17H18N6O/c1-12-3-4-14-13(11-12)15(21-20-14)16(24)22-7-9-23(10-8-22)17-18-5-2-6-19-17/h2-6,11H,7-10H2,1H3,(H,20,21)
InChIKeyAYGDNIKNOKKAGN-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.62
Rot. Bonds2

About (5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 78858969) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is (5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID78858969
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCN(c4ncccn4)CC3)c2c1
InChIInChI=1S/C17H18N6O/c1-12-3-4-14-13(11-12)15(21-20-14)16(24)22-7-9-23(10-8-22)17-18-5-2-6-19-17/h2-6,11H,7-10H2,1H3,(H,20,21)
InChIKeyAYGDNIKNOKKAGN-UHFFFAOYSA-N
XLogP1.62
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110854966
2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 78868399
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78858955
[(3S)-3-aminopyrrolidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124698924
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78868617

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 78858969) is (5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccc2[nH]nc(C(=O)N3CCN(c4ncccn4)CC3)c2c1.
What is the InChIKey of (5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is AYGDNIKNOKKAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-3-4-14-13(11-12)15(21-20-14)16(24)22-7-9-23(10-8-22)17-18-5-2-6-19-17/h2-6,11H,7-10H2,1H3,(H,20,21).
What are the key properties of (5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 78858969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).