2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine

C25H27N5 — CID 29208732

IUPAC2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine
SMILESCc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1
InChIInChI=1S/C25H27N5/c1-19-9-11-20(12-10-19)23-16-27-28-25(23)21-6-4-14-29(17-21)18-22-7-5-15-30(22)24-8-2-3-13-26-24/h2-3,5,7-13,15-16,21H,4,6,14,17-18H2,1H3,(H,27,28)/t21-/m1/s1
InChIKeyNGLBSWQDFOVDGS-OAQYLSRUSA-N
MW397.53 g/mol
LogP4.95
Rot. Bonds5

About 2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine

2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine (PubChem CID 29208732) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine
PubChem CID29208732
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine
SMILESCc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1
InChIInChI=1S/C25H27N5/c1-19-9-11-20(12-10-19)23-16-27-28-25(23)21-6-4-14-29(17-21)18-22-7-5-15-30(22)24-8-2-3-13-26-24/h2-3,5,7-13,15-16,21H,4,6,14,17-18H2,1H3,(H,27,28)/t21-/m1/s1
InChIKeyNGLBSWQDFOVDGS-OAQYLSRUSA-N
XLogP4.95
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine
CID 45167297
3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 70747126
(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 29087992
(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
CID 29256573
N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45244125
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 125026679
3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 45248311
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
1-(2-methylphenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45199090
2-[2-[[3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 45205117
(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine?
The IUPAC name of 2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine (CID 29208732) is 2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine.
What is the SMILES notation for 2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine?
The canonical SMILES for 2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine is Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1.
What is the InChIKey of 2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine?
The InChIKey is NGLBSWQDFOVDGS-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27N5/c1-19-9-11-20(12-10-19)23-16-27-28-25(23)21-6-4-14-29(17-21)18-22-7-5-15-30(22)24-8-2-3-13-26-24/h2-3,5,7-13,15-16,21H,4,6,14,17-18H2,1H3,(H,27,28)/t21-/m1/s1.
What are the key properties of 2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine?
2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine has a molecular weight of 397.53 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine is sourced from PubChem (CID 29208732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).