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

C26H30N6O2 — CID 29259188

IUPAC5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C26H30N6O2/c33-25(27-10-3-11-31-12-14-34-15-13-31)22-17-29-32(24(22)19-7-8-19)26-28-16-20-9-6-18-4-1-2-5-21(18)23(20)30-26/h1-2,4-5,16-17,19H,3,6-15H2,(H,27,33)
InChIKeyUBQUTUYIPROZFY-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.76
Rot. Bonds7

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

5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide (PubChem CID 29259188) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
PubChem CID29259188
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1
InChIInChI=1S/C26H30N6O2/c33-25(27-10-3-11-31-12-14-34-15-13-31)22-17-29-32(24(22)19-7-8-19)26-28-16-20-9-6-18-4-1-2-5-21(18)23(20)30-26/h1-2,4-5,16-17,19H,3,6-15H2,(H,27,33)
InChIKeyUBQUTUYIPROZFY-UHFFFAOYSA-N
XLogP2.76
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide (CID 29259188) is 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide is O=C(NCCCN1CCOCC1)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is UBQUTUYIPROZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c33-25(27-10-3-11-31-12-14-34-15-13-31)22-17-29-32(24(22)19-7-8-19)26-28-16-20-9-6-18-4-1-2-5-21(18)23(20)30-26/h1-2,4-5,16-17,19H,3,6-15H2,(H,27,33).
What are the key properties of 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 29259188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).