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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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).