[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C25H26N6O2 — CID 42472309

IUPAC[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(n2c([C@@H]3CCCO3)nc3cccnc32)CC1
InChIInChI=1S/C25H26N6O2/c32-25(21-16-20(28-29-21)17-6-2-1-3-7-17)30-13-10-18(11-14-30)31-23-19(8-4-12-26-23)27-24(31)22-9-5-15-33-22/h1-4,6-8,12,16,18,22H,5,9-11,13-15H2,(H,28,29)/t22-/m0/s1
InChIKeyDVLKZWDKSILKFL-QFIPXVFZSA-N
MW442.52 g/mol
LogP4.15
Rot. Bonds4

About [4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 42472309) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID42472309
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(n2c([C@@H]3CCCO3)nc3cccnc32)CC1
InChIInChI=1S/C25H26N6O2/c32-25(21-16-20(28-29-21)17-6-2-1-3-7-17)30-13-10-18(11-14-30)31-23-19(8-4-12-26-23)27-24(31)22-9-5-15-33-22/h1-4,6-8,12,16,18,22H,5,9-11,13-15H2,(H,28,29)/t22-/m0/s1
InChIKeyDVLKZWDKSILKFL-QFIPXVFZSA-N
XLogP4.15
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-[(2R)-oxolan-2-yl]-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 42481971
1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone
CID 26352178
[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 42479295
[5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42429133
(E)-3-(2-chlorophenyl)-1-[4-[2-[(2R)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 42471194
(E)-3-(4-methoxyphenyl)-1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 25325846
3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45237210
4-cyclopropyl-2-methyl-5-[1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540597
3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45217578
(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
CID 71798583
2-(oxolan-2-yl)-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 45167058
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 42472309) is [4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(n2c([C@@H]3CCCO3)nc3cccnc32)CC1.
What is the InChIKey of [4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is DVLKZWDKSILKFL-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26N6O2/c32-25(21-16-20(28-29-21)17-6-2-1-3-7-17)30-13-10-18(11-14-30)31-23-19(8-4-12-26-23)27-24(31)22-9-5-15-33-22/h1-4,6-8,12,16,18,22H,5,9-11,13-15H2,(H,28,29)/t22-/m0/s1.
What are the key properties of [4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 442.52 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 42472309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).