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

C23H29N9O — CID 121390903

IUPACN,N-dimethyl-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)N(C)C)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H29N9O/c1-5-18(6-2)30-12-17(10-26-30)22-21-7-8-24-32(21)15-20(27-22)16-9-25-31(11-16)19-13-29(14-19)23(33)28(3)4/h7-12,15,18-19H,5-6,13-14H2,1-4H3
InChIKeyLLYUJAVJZYINHJ-UHFFFAOYSA-N
MW447.55 g/mol
LogP3.36
Rot. Bonds6

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

N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide (PubChem CID 121390903) has the molecular formula C23H29N9O and a molecular weight of 447.55 g/mol. Its IUPAC name is N,N-dimethyl-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,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide
PubChem CID121390903
Molecular FormulaC23H29N9O
Molecular Weight447.55 g/mol
Exact Mass447.25
IUPAC NameN,N-dimethyl-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)N(C)C)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H29N9O/c1-5-18(6-2)30-12-17(10-26-30)22-21-7-8-24-32(21)15-20(27-22)16-9-25-31(11-16)19-13-29(14-19)23(33)28(3)4/h7-12,15,18-19H,5-6,13-14H2,1-4H3
InChIKeyLLYUJAVJZYINHJ-UHFFFAOYSA-N
XLogP3.36
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-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,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide (CID 121390903) is N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-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)N(C)C)C4)c3)cn3nccc23)cn1.
What is the InChIKey of N,N-dimethyl-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 LLYUJAVJZYINHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O/c1-5-18(6-2)30-12-17(10-26-30)22-21-7-8-24-32(21)15-20(27-22)16-9-25-31(11-16)19-13-29(14-19)23(33)28(3)4/h7-12,15,18-19H,5-6,13-14H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidine-1-carboxamide?
N,N-dimethyl-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 447.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-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 121390903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).