N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide

C16H22N4O — CID 3244790

IUPACN-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c(C)c3c(nc12)CCCC3
InChIInChI=1S/C16H22N4O/c1-4-10(2)18-16(21)13-9-17-20-11(3)12-7-5-6-8-14(12)19-15(13)20/h9-10H,4-8H2,1-3H3,(H,18,21)
InChIKeySYRAAYKQJSWOFL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.44
Rot. Bonds3

About N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide

N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide (PubChem CID 3244790) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
PubChem CID3244790
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c(C)c3c(nc12)CCCC3
InChIInChI=1S/C16H22N4O/c1-4-10(2)18-16(21)13-9-17-20-11(3)12-7-5-6-8-14(12)19-15(13)20/h9-10H,4-8H2,1-3H3,(H,18,21)
InChIKeySYRAAYKQJSWOFL-UHFFFAOYSA-N
XLogP2.44
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide (CID 3244790) is N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide is CCC(C)NC(=O)c1cnn2c(C)c3c(nc12)CCCC3.
What is the InChIKey of N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
The InChIKey is SYRAAYKQJSWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-10(2)18-16(21)13-9-17-20-11(3)12-7-5-6-8-14(12)19-15(13)20/h9-10H,4-8H2,1-3H3,(H,18,21).
What are the key properties of N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide?
N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 3244790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).