5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C26H24N6O2 — CID 42398966

IUPAC5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NCc4cccnc4)c3C3CC3)ncc1CC2
InChIInChI=1S/C26H24N6O2/c1-34-20-9-8-17-4-7-19-14-29-26(31-23(19)21(17)11-20)32-24(18-5-6-18)22(15-30-32)25(33)28-13-16-3-2-10-27-12-16/h2-3,8-12,14-15,18H,4-7,13H2,1H3,(H,28,33)
InChIKeyROUCEQPVNIABIE-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.64
Rot. Bonds6

About 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42398966) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID42398966
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NCc4cccnc4)c3C3CC3)ncc1CC2
InChIInChI=1S/C26H24N6O2/c1-34-20-9-8-17-4-7-19-14-29-26(31-23(19)21(17)11-20)32-24(18-5-6-18)22(15-30-32)25(33)28-13-16-3-2-10-27-12-16/h2-3,8-12,14-15,18H,4-7,13H2,1H3,(H,28,33)
InChIKeyROUCEQPVNIABIE-UHFFFAOYSA-N
XLogP3.64
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42397418
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 42421389
5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide
CID 42399027
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-yloxyethyl)pyrazole-4-carboxamide
CID 25294518
5-cyclopropyl-N-(2-hydroxyethyl)-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-propan-2-ylpyrazole-4-carboxamide
CID 26351847
5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 42376198
[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 26354903
5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
CID 26397091
[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 26400570
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 42362928
1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42166080
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(2S)-2-hydroxybutyl]pyrazole-4-carboxamide
CID 26341130

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 42398966) is 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NCc4cccnc4)c3C3CC3)ncc1CC2.
What is the InChIKey of 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ROUCEQPVNIABIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-34-20-9-8-17-4-7-19-14-29-26(31-23(19)21(17)11-20)32-24(18-5-6-18)22(15-30-32)25(33)28-13-16-3-2-10-27-12-16/h2-3,8-12,14-15,18H,4-7,13H2,1H3,(H,28,33).
What are the key properties of 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42398966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).