[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

C26H30N6O2 — CID 26400570

IUPAC[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCOc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C3CC3)ncc1CC2
InChIInChI=1S/C26H30N6O2/c1-30(2)19-10-11-31(15-19)25(33)22-14-28-32(24(22)17-5-6-17)26-27-13-18-7-4-16-8-9-20(34-3)12-21(16)23(18)29-26/h8-9,12-14,17,19H,4-7,10-11,15H2,1-3H3/t19-/m1/s1
InChIKeyYDCZWNDQNOKZST-LJQANCHMSA-N
MW458.57 g/mol
LogP3.09
Rot. Bonds5

About [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 26400570) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID26400570
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCOc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C3CC3)ncc1CC2
InChIInChI=1S/C26H30N6O2/c1-30(2)19-10-11-31(15-19)25(33)22-14-28-32(24(22)17-5-6-17)26-27-13-18-7-4-16-8-9-20(34-3)12-21(16)23(18)29-26/h8-9,12-14,17,19H,4-7,10-11,15H2,1-3H3/t19-/m1/s1
InChIKeyYDCZWNDQNOKZST-LJQANCHMSA-N
XLogP3.09
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrazole-4-carboxamide
CID 42399027
5-cyclopropyl-N-(2-hydroxyethyl)-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-propan-2-ylpyrazole-4-carboxamide
CID 26351847
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-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)pyrazol-4-yl]-[(3S)-3-(diethylamino)pyrrolidin-1-yl]methanone
CID 42274068
5-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
CID 26397091
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-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45248961
[5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 42441952
5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42397418
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]methanone
CID 26350679

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 26400570) is [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C3CC3)ncc1CC2.
What is the InChIKey of [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is YDCZWNDQNOKZST-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-30(2)19-10-11-31(15-19)25(33)22-14-28-32(24(22)17-5-6-17)26-27-13-18-7-4-16-8-9-20(34-3)12-21(16)23(18)29-26/h8-9,12-14,17,19H,4-7,10-11,15H2,1-3H3/t19-/m1/s1.
What are the key properties of [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 458.57 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 26400570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).