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

C25H28N6O2 — CID 29170802

IUPAC5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C25H28N6O2/c32-24(26-9-10-30-11-13-33-14-12-30)21-16-28-31(23(21)18-6-7-18)25-27-15-19-8-5-17-3-1-2-4-20(17)22(19)29-25/h1-4,15-16,18H,5-14H2,(H,26,32)
InChIKeyFXMSAWBNZMPALL-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.37
Rot. Bonds6

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

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (PubChem CID 29170802) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
PubChem CID29170802
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C25H28N6O2/c32-24(26-9-10-30-11-13-33-14-12-30)21-16-28-31(23(21)18-6-7-18)25-27-15-19-8-5-17-3-1-2-4-20(17)22(19)29-25/h1-4,15-16,18H,5-14H2,(H,26,32)
InChIKeyFXMSAWBNZMPALL-UHFFFAOYSA-N
XLogP2.37
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.37
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-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (CID 29170802) is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is O=C(NCCN1CCOCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The InChIKey is FXMSAWBNZMPALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c32-24(26-9-10-30-11-13-33-14-12-30)21-16-28-31(23(21)18-6-7-18)25-27-15-19-8-5-17-3-1-2-4-20(17)22(19)29-25/h1-4,15-16,18H,5-14H2,(H,26,32).
What are the key properties of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.37, 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-morpholin-4-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 29170802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).