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

C25H33N9O — CID 121391094

IUPACN,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(=O)N(C)C)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C25H33N9O/c1-5-20(6-2)32-16-19(14-28-32)24-23-7-10-26-34(23)17-22(29-24)18-13-27-33(15-18)21-8-11-31(12-9-21)25(35)30(3)4/h7,10,13-17,20-21H,5-6,8-9,11-12H2,1-4H3
InChIKeyLDDOGZGJPXCIRH-UHFFFAOYSA-N
MW475.60 g/mol
LogP4.14
Rot. Bonds6

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

N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 121391094) has the molecular formula C25H33N9O and a molecular weight of 475.60 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID121391094
Molecular FormulaC25H33N9O
Molecular Weight475.60 g/mol
Exact Mass475.28
IUPAC NameN,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(=O)N(C)C)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C25H33N9O/c1-5-20(6-2)32-16-19(14-28-32)24-23-7-10-26-34(23)17-22(29-24)18-13-27-33(15-18)21-8-11-31(12-9-21)25(35)30(3)4/h7,10,13-17,20-21H,5-6,8-9,11-12H2,1-4H3
InChIKeyLDDOGZGJPXCIRH-UHFFFAOYSA-N
XLogP4.14
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide (CID 121391094) is N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(=O)N(C)C)CC4)c3)cn3nccc23)cn1.
What is the InChIKey of N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is LDDOGZGJPXCIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N9O/c1-5-20(6-2)32-16-19(14-28-32)24-23-7-10-26-34(23)17-22(29-24)18-13-27-33(15-18)21-8-11-31(12-9-21)25(35)30(3)4/h7,10,13-17,20-21H,5-6,8-9,11-12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide?
N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 121391094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).