2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one

C24H30N8O — CID 121390901

IUPAC2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)C(C)C)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H30N8O/c1-5-19(6-2)30-12-18(10-27-30)23-22-7-8-25-32(22)15-21(28-23)17-9-26-31(11-17)20-13-29(14-20)24(33)16(3)4/h7-12,15-16,19-20H,5-6,13-14H2,1-4H3
InChIKeyGJZRWHRQSBNKRS-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.86
Rot. Bonds7

About 2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one

2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one (PubChem CID 121390901) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one
PubChem CID121390901
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)C(C)C)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H30N8O/c1-5-19(6-2)30-12-18(10-27-30)23-22-7-8-25-32(22)15-21(28-23)17-9-26-31(11-17)20-13-29(14-20)24(33)16(3)4/h7-12,15-16,19-20H,5-6,13-14H2,1-4H3
InChIKeyGJZRWHRQSBNKRS-UHFFFAOYSA-N
XLogP3.86
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one (CID 121390901) is 2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one is CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)C(C)C)C4)c3)cn3nccc23)cn1.
What is the InChIKey of 2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
The InChIKey is GJZRWHRQSBNKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-5-19(6-2)30-12-18(10-27-30)23-22-7-8-25-32(22)15-21(28-23)17-9-26-31(11-17)20-13-29(14-20)24(33)16(3)4/h7-12,15-16,19-20H,5-6,13-14H2,1-4H3.
What are the key properties of 2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one has a molecular weight of 446.56 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 121390901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).