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

C23H22N6OS — CID 42340788

IUPAC1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1nc([C@H](C)NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)cs1
InChIInChI=1S/C23H22N6OS/c1-13(20-12-31-15(3)27-20)26-22(30)19-11-25-29(14(19)2)23-24-10-17-9-8-16-6-4-5-7-18(16)21(17)28-23/h4-7,10-13H,8-9H2,1-3H3,(H,26,30)/t13-/m0/s1
InChIKeyURGOOVJNJOCITI-ZDUSSCGKSA-N
MW430.54 g/mol
LogP3.99
Rot. Bonds4

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

1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 42340788) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
PubChem CID42340788
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC Name1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1nc([C@H](C)NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)cs1
InChIInChI=1S/C23H22N6OS/c1-13(20-12-31-15(3)27-20)26-22(30)19-11-25-29(14(19)2)23-24-10-17-9-8-16-6-4-5-7-18(16)21(17)28-23/h4-7,10-13H,8-9H2,1-3H3,(H,26,30)/t13-/m0/s1
InChIKeyURGOOVJNJOCITI-ZDUSSCGKSA-N
XLogP3.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810873
5-cyclopropyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 45252572
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 118758369
[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 26361627
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 42421285
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]methanone
CID 26350679
[1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-5-methylpyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 42452093
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-N,5-dimethylpyrazole-4-carboxamide
CID 26353014
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]-N,5-dimethylpyrazole-4-carboxamide
CID 26353012
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 26397581
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 42362928
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 42359578

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide (CID 42340788) is 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide is Cc1nc([C@H](C)NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)cs1.
What is the InChIKey of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is URGOOVJNJOCITI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H22N6OS/c1-13(20-12-31-15(3)27-20)26-22(30)19-11-25-29(14(19)2)23-24-10-17-9-8-16-6-4-5-7-18(16)21(17)28-23/h4-7,10-13H,8-9H2,1-3H3,(H,26,30)/t13-/m0/s1.
What are the key properties of 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide?
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 430.54 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42340788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).