1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine

C25H28N6 — CID 97415349

IUPAC1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccccn4)CC3)cc21
InChIInChI=1S/C25H28N6/c1-18(2)31-17-28-25-23(31)14-22(29-24(25)20-6-5-10-26-15-20)19-8-12-30(13-9-19)16-21-7-3-4-11-27-21/h3-7,10-11,14-15,17-19H,8-9,12-13,16H2,1-2H3
InChIKeyITLINUUWERSAFM-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.85
Rot. Bonds5

About 1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine

1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine (PubChem CID 97415349) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine
PubChem CID97415349
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccccn4)CC3)cc21
InChIInChI=1S/C25H28N6/c1-18(2)31-17-28-25-23(31)14-22(29-24(25)20-6-5-10-26-15-20)19-8-12-30(13-9-19)16-21-7-3-4-11-27-21/h3-7,10-11,14-15,17-19H,8-9,12-13,16H2,1-2H3
InChIKeyITLINUUWERSAFM-UHFFFAOYSA-N
XLogP4.85
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97447652
furan-3-yl-[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone
CID 97415351
[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155850430
6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine
CID 97415283
N,N-dimethyl-4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidine-1-carboxamide
CID 97415290
6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155849243
6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine
CID 97415259
6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine
CID 97415265
6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine
CID 97415326
N-(2-methoxyethyl)-N,1-dimethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine
CID 95043061
[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155837911
2-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridine
CID 16667834

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine (CID 97415349) is 1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine is CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccccn4)CC3)cc21.
What is the InChIKey of 1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine?
The InChIKey is ITLINUUWERSAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6/c1-18(2)31-17-28-25-23(31)14-22(29-24(25)20-6-5-10-26-15-20)19-8-12-30(13-9-19)16-21-7-3-4-11-27-21/h3-7,10-11,14-15,17-19H,8-9,12-13,16H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine?
1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine has a molecular weight of 412.54 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 97415349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).