5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide

C25H24N6O3 — CID 42376198

IUPAC5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCc4cc(C)no4)c3C3CC3)nc1-2
InChIInChI=1S/C25H24N6O3/c1-14-9-19(34-30-14)12-26-24(32)21-13-28-31(23(21)15-3-4-15)25-27-11-17-6-5-16-10-18(33-2)7-8-20(16)22(17)29-25/h7-11,13,15H,3-6,12H2,1-2H3,(H,26,32)
InChIKeyJKGYJXVGFOYEFV-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.54
Rot. Bonds6

About 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide

5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 42376198) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID42376198
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCc4cc(C)no4)c3C3CC3)nc1-2
InChIInChI=1S/C25H24N6O3/c1-14-9-19(34-30-14)12-26-24(32)21-13-28-31(23(21)15-3-4-15)25-27-11-17-6-5-16-10-18(33-2)7-8-20(16)22(17)29-25/h7-11,13,15H,3-6,12H2,1-2H3,(H,26,32)
InChIKeyJKGYJXVGFOYEFV-UHFFFAOYSA-N
XLogP3.54
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

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CID 42362928
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 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) is 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide is COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCc4cc(C)no4)c3C3CC3)nc1-2.
What is the InChIKey of 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is JKGYJXVGFOYEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-14-9-19(34-30-14)12-26-24(32)21-13-28-31(23(21)15-3-4-15)25-27-11-17-6-5-16-10-18(33-2)7-8-20(16)22(17)29-25/h7-11,13,15H,3-6,12H2,1-2H3,(H,26,32).
What are the key properties of 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42376198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).