5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide

C27H32N6O2 — CID 29183182

IUPAC5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1)N1CCOCC1
InChIInChI=1S/C27H32N6O2/c1-27(2,32-11-13-35-14-12-32)17-29-25(34)22-16-30-33(24(22)19-8-9-19)26-28-15-20-10-7-18-5-3-4-6-21(18)23(20)31-26/h3-6,15-16,19H,7-14,17H2,1-2H3,(H,29,34)
InChIKeyYUEZCWVYFFIAJZ-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.15
Rot. Bonds6

About 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (PubChem CID 29183182) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
PubChem CID29183182
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1)N1CCOCC1
InChIInChI=1S/C27H32N6O2/c1-27(2,32-11-13-35-14-12-32)17-29-25(34)22-16-30-33(24(22)19-8-9-19)26-28-15-20-10-7-18-5-3-4-6-21(18)23(20)31-26/h3-6,15-16,19H,7-14,17H2,1-2H3,(H,29,34)
InChIKeyYUEZCWVYFFIAJZ-UHFFFAOYSA-N
XLogP3.15
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide (CID 29183182) is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is CC(C)(CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1)N1CCOCC1.
What is the InChIKey of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is YUEZCWVYFFIAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-27(2,32-11-13-35-14-12-32)17-29-25(34)22-16-30-33(24(22)19-8-9-19)26-28-15-20-10-7-18-5-3-4-6-21(18)23(20)31-26/h3-6,15-16,19H,7-14,17H2,1-2H3,(H,29,34).
What are the key properties of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 29183182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).