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

C26H30N6O2 — CID 26354903

IUPAC[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3cc(OC)ccc3CC4)c2C2CC2)CC1
InChIInChI=1S/C26H30N6O2/c1-3-30-10-12-31(13-11-30)25(33)22-16-28-32(24(22)18-5-6-18)26-27-15-19-7-4-17-8-9-20(34-2)14-21(17)23(19)29-26/h8-9,14-16,18H,3-7,10-13H2,1-2H3
InChIKeyXMXWLUGKWLFFEV-UHFFFAOYSA-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]-(4-ethylpiperazin-1-yl)methanone

[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 26354903) 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]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID26354903
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]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3cc(OC)ccc3CC4)c2C2CC2)CC1
InChIInChI=1S/C26H30N6O2/c1-3-30-10-12-31(13-11-30)25(33)22-16-28-32(24(22)18-5-6-18)26-27-15-19-7-4-17-8-9-20(34-2)14-21(17)23(19)29-26/h8-9,14-16,18H,3-7,10-13H2,1-2H3
InChIKeyXMXWLUGKWLFFEV-UHFFFAOYSA-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 26400570
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
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-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 26348088
[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
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-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 45242343
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

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 26354903) is [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3cc(OC)ccc3CC4)c2C2CC2)CC1.
What is the InChIKey of [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is XMXWLUGKWLFFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-3-30-10-12-31(13-11-30)25(33)22-16-28-32(24(22)18-5-6-18)26-27-15-19-7-4-17-8-9-20(34-2)14-21(17)23(19)29-26/h8-9,14-16,18H,3-7,10-13H2,1-2H3.
What are the key properties of [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-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]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 26354903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).