1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide

C19H14ClN5O — CID 166984841

IUPAC1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
SMILESO=C(Nc1cncnc1)c1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H14ClN5O/c20-14-7-5-13(6-8-14)11-25-17-4-2-1-3-16(17)18(24-25)19(26)23-15-9-21-12-22-10-15/h1-10,12H,11H2,(H,23,26)
InChIKeyTXDPVQCUMWIZFN-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.78
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide (PubChem CID 166984841) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
PubChem CID166984841
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
SMILESO=C(Nc1cncnc1)c1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C19H14ClN5O/c20-14-7-5-13(6-8-14)11-25-17-4-2-1-3-16(17)18(24-25)19(26)23-15-9-21-12-22-10-15/h1-10,12H,11H2,(H,23,26)
InChIKeyTXDPVQCUMWIZFN-UHFFFAOYSA-N
XLogP3.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 23646207
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 20
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2-(6-Chloro-1-Methyl-1h-Indazol-3-Yl)-N-(Propan-2-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
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1-(5-Chloro-2-Methylphenyl)-4-(Pyrrolo[2,1-F][1,2,4]triazin-4-Yl)-1h-Pyrrole-2-Carboxamide
CID 118129292
4-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518504
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyrimidin-2-yl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetamide
CID 46226231
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyrimidin-2-yl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetimidamide
CID 46226232
1-(3-aminopropyl)-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 46911770
N-[2-(4-chlorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16194125
1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-pyrazolo-[4,3-h]quinazoline-3-carboxamide
CID 24992861
4-amino-N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518365
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-1H-pyrazol-4-yl)acetonitrile
CID 46225143

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide (CID 166984841) is 1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide is O=C(Nc1cncnc1)c1nn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide?
The InChIKey is TXDPVQCUMWIZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-14-7-5-13(6-8-14)11-25-17-4-2-1-3-16(17)18(24-25)19(26)23-15-9-21-12-22-10-15/h1-10,12H,11H2,(H,23,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide is sourced from PubChem (CID 166984841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).