1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C24H22N6O2 — CID 26397581

IUPAC1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCc2ccccn2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C24H22N6O2/c1-32-15-21-20(23(31)26-13-18-7-4-5-11-25-18)14-28-30(21)24-27-12-17-10-9-16-6-2-3-8-19(16)22(17)29-24/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,26,31)
InChIKeyJMBMWSFATNMGTL-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.90
Rot. Bonds6

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

1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 26397581) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID26397581
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCc2ccccn2)cnn1-c1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C24H22N6O2/c1-32-15-21-20(23(31)26-13-18-7-4-5-11-25-18)14-28-30(21)24-27-12-17-10-9-16-6-2-3-8-19(16)22(17)29-24/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,26,31)
InChIKeyJMBMWSFATNMGTL-UHFFFAOYSA-N
XLogP2.90
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 42440166
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 118756047
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 26332215
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide
CID 26401380
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 42362928
5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42472788
1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 166613247
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 42421285
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-(methoxymethyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45167259
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 118758369
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 45242343
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42433017

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 26397581) is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is COCc1c(C(=O)NCc2ccccn2)cnn1-c1ncc2c(n1)-c1ccccc1CC2.
What is the InChIKey of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is JMBMWSFATNMGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-32-15-21-20(23(31)26-13-18-7-4-5-11-25-18)14-28-30(21)24-27-12-17-10-9-16-6-2-3-8-19(16)22(17)29-24/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,26,31).
What are the key properties of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 26397581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).