N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

C17H17N5O — CID 20919209

IUPACN-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cnn2c3c(cnc12)CCCC3
InChIInChI=1S/C17H17N5O/c23-17(20-9-12-4-3-7-18-8-12)14-11-21-22-15-6-2-1-5-13(15)10-19-16(14)22/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,20,23)
InChIKeyMGGKXWIVRSISIZ-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.93
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 20919209) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID20919209
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cnn2c3c(cnc12)CCCC3
InChIInChI=1S/C17H17N5O/c23-17(20-9-12-4-3-7-18-8-12)14-11-21-22-15-6-2-1-5-13(15)10-19-16(14)22/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,20,23)
InChIKeyMGGKXWIVRSISIZ-UHFFFAOYSA-N
XLogP1.93
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 20919209) is N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is O=C(NCc1cccnc1)c1cnn2c3c(cnc12)CCCC3.
What is the InChIKey of N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is MGGKXWIVRSISIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(20-9-12-4-3-7-18-8-12)14-11-21-22-15-6-2-1-5-13(15)10-19-16(14)22/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,20,23).
What are the key properties of N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide?
N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 20919209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).