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

C25H24N6O2S — CID 42399027

IUPAC5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)Cc4nccs4)c3C3CC3)ncc1CC2
InChIInChI=1S/C25H24N6O2S/c1-30(14-21-26-9-10-34-21)24(32)20-13-28-31(23(20)16-4-5-16)25-27-12-17-6-3-15-7-8-18(33-2)11-19(15)22(17)29-25/h7-13,16H,3-6,14H2,1-2H3
InChIKeyLAWBLWYBXQVLBN-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.04
Rot. Bonds6

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

5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42399027) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42399027
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)Cc4nccs4)c3C3CC3)ncc1CC2
InChIInChI=1S/C25H24N6O2S/c1-30(14-21-26-9-10-34-21)24(32)20-13-28-31(23(20)16-4-5-16)25-27-12-17-6-3-15-7-8-18(33-2)11-19(15)22(17)29-25/h7-13,16H,3-6,14H2,1-2H3
InChIKeyLAWBLWYBXQVLBN-UHFFFAOYSA-N
XLogP4.04
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

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-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 26354903
[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-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42398966
5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide
CID 118758067
5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
CID 26397091
1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 26341663
5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42397418
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
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 42323991
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
CID 45179791
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
CID 45173447

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 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) is 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide is COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)Cc4nccs4)c3C3CC3)ncc1CC2.
What is the InChIKey of 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is LAWBLWYBXQVLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-30(14-21-26-9-10-34-21)24(32)20-13-28-31(23(20)16-4-5-16)25-27-12-17-6-3-15-7-8-18(33-2)11-19(15)22(17)29-25/h7-13,16H,3-6,14H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42399027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).