N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide

C25H24N6O2 — CID 175396884

IUPACN-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide
SMILESCOC1CC(n2cc(NC(=O)c3nc(-c4cccnc4)ccc3C)c(-c3ccccn3)n2)C1
InChIInChI=1S/C25H24N6O2/c1-16-8-9-20(17-6-5-10-26-14-17)28-23(16)25(32)29-22-15-31(18-12-19(13-18)33-2)30-24(22)21-7-3-4-11-27-21/h3-11,14-15,18-19H,12-13H2,1-2H3,(H,29,32)
InChIKeyVJGWOANZMXHKSY-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.31
Rot. Bonds6

About N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide

N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 175396884) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide
PubChem CID175396884
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide
SMILESCOC1CC(n2cc(NC(=O)c3nc(-c4cccnc4)ccc3C)c(-c3ccccn3)n2)C1
InChIInChI=1S/C25H24N6O2/c1-16-8-9-20(17-6-5-10-26-14-17)28-23(16)25(32)29-22-15-31(18-12-19(13-18)33-2)30-24(22)21-7-3-4-11-27-21/h3-11,14-15,18-19H,12-13H2,1-2H3,(H,29,32)
InChIKeyVJGWOANZMXHKSY-UHFFFAOYSA-N
XLogP4.31
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 134450331
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-3-morpholin-4-yl-6-pyridin-3-ylpyridine-2-carboxamide
CID 175396874
N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638639
3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
CID 175790508
6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 158136871
azane;[4-[4-[[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl] methyl hydrogen phosphate
CID 175199920
N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638580
N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(5-methyl-1H-pyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide
CID 158122369
tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);5-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide
CID 158413605
N-[1-[(1S,3R)-3-ethoxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;formic acid
CID 122638764
N-[1-[(1R,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638714
N-[1-(3-hydroxycyclopentyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638686

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide (CID 175396884) is N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide is COC1CC(n2cc(NC(=O)c3nc(-c4cccnc4)ccc3C)c(-c3ccccn3)n2)C1.
What is the InChIKey of N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is VJGWOANZMXHKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16-8-9-20(17-6-5-10-26-14-17)28-23(16)25(32)29-22-15-31(18-12-19(13-18)33-2)30-24(22)21-7-3-4-11-27-21/h3-11,14-15,18-19H,12-13H2,1-2H3,(H,29,32).
What are the key properties of N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide?
N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 175396884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).