1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide

C24H22N6O — CID 42340426

IUPAC1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2cccnc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C24H22N6O/c1-16-21(23(31)26-12-10-17-5-4-11-25-13-17)15-28-30(16)24-27-14-19-9-8-18-6-2-3-7-20(18)22(19)29-24/h2-7,11,13-15H,8-10,12H2,1H3,(H,26,31)
InChIKeyNZPJTJOJPMCGEG-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.10
Rot. Bonds5

About 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide

1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 42340426) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID42340426
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2cccnc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C24H22N6O/c1-16-21(23(31)26-12-10-17-5-4-11-25-13-17)15-28-30(16)24-27-14-19-9-8-18-6-2-3-7-20(18)22(19)29-24/h2-7,11,13-15H,8-10,12H2,1H3,(H,26,31)
InChIKeyNZPJTJOJPMCGEG-UHFFFAOYSA-N
XLogP3.10
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide (CID 42340426) is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCc2cccnc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2.
What is the InChIKey of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is NZPJTJOJPMCGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-16-21(23(31)26-12-10-17-5-4-11-25-13-17)15-28-30(16)24-27-14-19-9-8-18-6-2-3-7-20(18)22(19)29-24/h2-7,11,13-15H,8-10,12H2,1H3,(H,26,31).
What are the key properties of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42340426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).