5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide

C27H31N5O3 — CID 26397091

IUPAC5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N[C@H]4CCOC(C)(C)C4)c3C3CC3)ncc1CC2
InChIInChI=1S/C27H31N5O3/c1-27(2)13-19(10-11-35-27)30-25(33)22-15-29-32(24(22)17-5-6-17)26-28-14-18-7-4-16-8-9-20(34-3)12-21(16)23(18)31-26/h8-9,12,14-15,17,19H,4-7,10-11,13H2,1-3H3,(H,30,33)/t19-/m0/s1
InChIKeyFIZAPTFLZQGHKY-IBGZPJMESA-N
MW473.58 g/mol
LogP4.00
Rot. Bonds5

About 5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide

5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide (PubChem CID 26397091) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
PubChem CID26397091
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
SMILESCOc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N[C@H]4CCOC(C)(C)C4)c3C3CC3)ncc1CC2
InChIInChI=1S/C27H31N5O3/c1-27(2)13-19(10-11-35-27)30-25(33)22-15-29-32(24(22)17-5-6-17)26-28-14-18-7-4-16-8-9-20(34-3)12-21(16)23(18)31-26/h8-9,12,14-15,17,19H,4-7,10-11,13H2,1-3H3,(H,30,33)/t19-/m0/s1
InChIKeyFIZAPTFLZQGHKY-IBGZPJMESA-N
XLogP4.00
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2,2-dimethyloxan-4-yl)pyrazole-4-carboxamide
CID 45219720
5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide
CID 118758067
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)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-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)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide
CID 42399027
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
5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42397418
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 26275723
N-(2,2-dimethyloxan-4-yl)-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 45187802
1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 26341663

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide (CID 26397091) is 5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide is COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N[C@H]4CCOC(C)(C)C4)c3C3CC3)ncc1CC2.
What is the InChIKey of 5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
The InChIKey is FIZAPTFLZQGHKY-IBGZPJMESA-N. The full InChI is InChI=1S/C27H31N5O3/c1-27(2)13-19(10-11-35-27)30-25(33)22-15-29-32(24(22)17-5-6-17)26-28-14-18-7-4-16-8-9-20(34-3)12-21(16)23(18)31-26/h8-9,12,14-15,17,19H,4-7,10-11,13H2,1-3H3,(H,30,33)/t19-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 26397091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).