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

C24H22N6O2 — CID 42397256

IUPAC5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)on1
InChIInChI=1S/C24H22N6O2/c1-14-10-18(32-29-14)12-25-23(31)20-13-27-30(22(20)16-7-8-16)24-26-11-17-9-6-15-4-2-3-5-19(15)21(17)28-24/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,25,31)
InChIKeyMJWFOCDBQNFAGF-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.53
Rot. Bonds5

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

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 42397256) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-cyclopropyl-1-(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-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID42397256
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)on1
InChIInChI=1S/C24H22N6O2/c1-14-10-18(32-29-14)12-25-23(31)20-13-27-30(22(20)16-7-8-16)24-26-11-17-9-6-15-4-2-3-5-19(15)21(17)28-24/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,25,31)
InChIKeyMJWFOCDBQNFAGF-UHFFFAOYSA-N
XLogP3.53
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.53
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-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide (CID 42397256) is 5-cyclopropyl-1-(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-(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-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide is Cc1cc(CNC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is MJWFOCDBQNFAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-14-10-18(32-29-14)12-25-23(31)20-13-27-30(22(20)16-7-8-16)24-26-11-17-9-6-15-4-2-3-5-19(15)21(17)28-24/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,25,31).
What are the key properties of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.53, 5 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-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42397256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).