5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide

C26H24N6O — CID 42421389

IUPAC5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1cccnc1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C26H24N6O/c33-25(28-13-11-17-4-3-12-27-14-17)22-16-30-32(24(22)19-8-9-19)26-29-15-20-10-7-18-5-1-2-6-21(18)23(20)31-26/h1-6,12,14-16,19H,7-11,13H2,(H,28,33)
InChIKeyPSTRYTYPFPPPDC-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.67
Rot. Bonds6

About 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 42421389) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID42421389
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1cccnc1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C26H24N6O/c33-25(28-13-11-17-4-3-12-27-14-17)22-16-30-32(24(22)19-8-9-19)26-29-15-20-10-7-18-5-1-2-6-21(18)23(20)31-26/h1-6,12,14-16,19H,7-11,13H2,(H,28,33)
InChIKeyPSTRYTYPFPPPDC-UHFFFAOYSA-N
XLogP3.67
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-yloxyethyl)pyrazole-4-carboxamide
CID 25294518
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 118758281
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-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42398966
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-[(2S)-2-hydroxybutyl]pyrazole-4-carboxamide
CID 26341130
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 42405339
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
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-(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
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
CID 45173447
[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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide (CID 42421389) is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide is O=C(NCCc1cccnc1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is PSTRYTYPFPPPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c33-25(28-13-11-17-4-3-12-27-14-17)22-16-30-32(24(22)19-8-9-19)26-29-15-20-10-7-18-5-1-2-6-21(18)23(20)31-26/h1-6,12,14-16,19H,7-11,13H2,(H,28,33).
What are the key properties of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42421389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).