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

C24H31N9O — CID 121391014

IUPACN-methyl-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)NC)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H31N9O/c1-4-19(5-2)31-15-18(13-28-31)23-22-6-9-26-33(22)16-21(29-23)17-12-27-32(14-17)20-7-10-30(11-8-20)24(34)25-3/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3,(H,25,34)
InChIKeyDKHFDQAZDIICQY-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.79
Rot. Bonds6

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

N-methyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 121391014) has the molecular formula C24H31N9O and a molecular weight of 461.57 g/mol. Its IUPAC name is N-methyl-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-methyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID121391014
Molecular FormulaC24H31N9O
Molecular Weight461.57 g/mol
Exact Mass461.27
IUPAC NameN-methyl-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)NC)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H31N9O/c1-4-19(5-2)31-15-18(13-28-31)23-22-6-9-26-33(22)16-21(29-23)17-12-27-32(14-17)20-7-10-30(11-8-20)24(34)25-3/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3,(H,25,34)
InChIKeyDKHFDQAZDIICQY-UHFFFAOYSA-N
XLogP3.79
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-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-methyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide (CID 121391014) is N-methyl-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-methyl-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-methyl-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)NC)CC4)c3)cn3nccc23)cn1.
What is the InChIKey of N-methyl-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 DKHFDQAZDIICQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O/c1-4-19(5-2)31-15-18(13-28-31)23-22-6-9-26-33(22)16-21(29-23)17-12-27-32(14-17)20-7-10-30(11-8-20)24(34)25-3/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3,(H,25,34).
What are the key properties of N-methyl-4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxamide?
N-methyl-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 461.57 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-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 121391014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).