1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

C26H26N6O2 — CID 42340945

IUPAC1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N(C)CCc4ccccn4)c3C)nc1-2
InChIInChI=1S/C26H26N6O2/c1-17-23(25(33)31(2)13-11-20-6-4-5-12-27-20)16-29-32(17)26-28-15-19-8-7-18-14-21(34-3)9-10-22(18)24(19)30-26/h4-6,9-10,12,14-16H,7-8,11,13H2,1-3H3
InChIKeyFCCPVGWYHKZMIV-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.45
Rot. Bonds6

About 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 42340945) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID42340945
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N(C)CCc4ccccn4)c3C)nc1-2
InChIInChI=1S/C26H26N6O2/c1-17-23(25(33)31(2)13-11-20-6-4-5-12-27-20)16-29-32(17)26-28-15-19-8-7-18-14-21(34-3)9-10-22(18)24(19)30-26/h4-6,9-10,12,14-16H,7-8,11,13H2,1-3H3
InChIKeyFCCPVGWYHKZMIV-UHFFFAOYSA-N
XLogP3.45
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-Methoxyphenyl)-3-[(2-pyridin-3-ylpiperidin-1-yl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4917699
3,4-dihydroisoquinolin-2(1H)-yl[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 1111155
3,4-dihydroisoquinolin-2(1H)-yl[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 2973768
(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 5636860
[1-Benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 16297716
[1-Benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 16298601
3-Methoxy-10-methyl-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline
CID 4350218
[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1094037
2-[7-(Difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-A]pyrimidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline
CID 1094049
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]pyrazole-4-carboxamide
CID 58081299
N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-4-pyridinyl)amino]quinazoline-7-carboxamide
CID 71247512
US11186582, Example 526
CID 118471075

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 42340945) is 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N(C)CCc4ccccn4)c3C)nc1-2.
What is the InChIKey of 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is FCCPVGWYHKZMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-17-23(25(33)31(2)13-11-20-6-4-5-12-27-20)16-29-32(17)26-28-15-19-8-7-18-14-21(34-3)9-10-22(18)24(19)30-26/h4-6,9-10,12,14-16H,7-8,11,13H2,1-3H3.
What are the key properties of 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42340945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).