N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide

C22H27N9O — CID 121390963

IUPACN-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)NC)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27N9O/c1-4-17(5-2)29-11-16(9-26-29)21-20-6-7-24-31(20)14-19(27-21)15-8-25-30(10-15)18-12-28(13-18)22(32)23-3/h6-11,14,17-18H,4-5,12-13H2,1-3H3,(H,23,32)
InChIKeyMVSWGWIKKZTFSP-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.01
Rot. Bonds6

About N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide

N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide (PubChem CID 121390963) has the molecular formula C22H27N9O and a molecular weight of 433.52 g/mol. Its IUPAC name is N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide
PubChem CID121390963
Molecular FormulaC22H27N9O
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC NameN-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)NC)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H27N9O/c1-4-17(5-2)29-11-16(9-26-29)21-20-6-7-24-31(20)14-19(27-21)15-8-25-30(10-15)18-12-28(13-18)22(32)23-3/h6-11,14,17-18H,4-5,12-13H2,1-3H3,(H,23,32)
InChIKeyMVSWGWIKKZTFSP-UHFFFAOYSA-N
XLogP3.01
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-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-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide?
The IUPAC name of N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide (CID 121390963) is N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide?
The canonical SMILES for N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide is CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)NC)C4)c3)cn3nccc23)cn1.
What is the InChIKey of N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide?
The InChIKey is MVSWGWIKKZTFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O/c1-4-17(5-2)29-11-16(9-26-29)21-20-6-7-24-31(20)14-19(27-21)15-8-25-30(10-15)18-12-28(13-18)22(32)23-3/h6-11,14,17-18H,4-5,12-13H2,1-3H3,(H,23,32).
What are the key properties of N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide?
N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 121390963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).