N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide

C20H22N8O — CID 166270328

IUPACN-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cn3ccccc3n2)c1)c1ccn(C2CCNCC2)n1
InChIInChI=1S/C20H22N8O/c29-20(18-6-10-28(25-18)17-4-7-21-8-5-17)24-15-11-22-27(13-15)14-16-12-26-9-2-1-3-19(26)23-16/h1-3,6,9-13,17,21H,4-5,7-8,14H2,(H,24,29)
InChIKeyQPVUUXIVPDVLCM-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.95
Rot. Bonds5

About N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide

N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide (PubChem CID 166270328) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide
PubChem CID166270328
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cn3ccccc3n2)c1)c1ccn(C2CCNCC2)n1
InChIInChI=1S/C20H22N8O/c29-20(18-6-10-28(25-18)17-4-7-21-8-5-17)24-15-11-22-27(13-15)14-16-12-26-9-2-1-3-19(26)23-16/h1-3,6,9-13,17,21H,4-5,7-8,14H2,(H,24,29)
InChIKeyQPVUUXIVPDVLCM-UHFFFAOYSA-N
XLogP1.95
TPSA94.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 51105950
2-[(1S)-cyclopent-2-en-1-yl]-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
CID 94822508
(1R,2R,4R)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98847181
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
CID 167875621
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 166270307
1-benzyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 9185448
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide
CID 167756464
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 167755992
3-[3-[(1-benzylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506527
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119837429
8-bromo-N-[1-[(1-piperidin-4-yltriazol-4-yl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 134363074

Frequently Asked Questions

What is the IUPAC name of N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide (CID 166270328) is N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide is O=C(Nc1cnn(Cc2cn3ccccc3n2)c1)c1ccn(C2CCNCC2)n1.
What is the InChIKey of N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide?
The InChIKey is QPVUUXIVPDVLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c29-20(18-6-10-28(25-18)17-4-7-21-8-5-17)24-15-11-22-27(13-15)14-16-12-26-9-2-1-3-19(26)23-16/h1-3,6,9-13,17,21H,4-5,7-8,14H2,(H,24,29).
What are the key properties of N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide?
N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-1-piperidin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166270328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).