1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide

C24H26FN7O — CID 129067443

IUPAC1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncccc1F)c1cnn(CC2CCCN(Cc3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C24H26FN7O/c25-19-6-3-9-26-22(19)12-27-24(33)18-11-28-32(15-18)14-17-5-4-10-31(13-17)16-23-29-20-7-1-2-8-21(20)30-23/h1-3,6-9,11,15,17H,4-5,10,12-14,16H2,(H,27,33)(H,29,30)
InChIKeyZFTUVGFPUSGIEI-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.14
Rot. Bonds7

About 1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide

1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 129067443) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID129067443
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC Name1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncccc1F)c1cnn(CC2CCCN(Cc3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C24H26FN7O/c25-19-6-3-9-26-22(19)12-27-24(33)18-11-28-32(15-18)14-17-5-4-10-31(13-17)16-23-29-20-7-1-2-8-21(20)30-23/h1-3,6-9,11,15,17H,4-5,10,12-14,16H2,(H,27,33)(H,29,30)
InChIKeyZFTUVGFPUSGIEI-UHFFFAOYSA-N
XLogP3.14
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide
CID 158952277
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
CID 46981224
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
1-[2-[2-(1H-benzimidazol-2-yl)ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide
CID 129067472
4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide
CID 157259808
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 145298036
3-[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42513881
2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole
CID 91837439
N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide
CID 152831666
N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97278122

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide (CID 129067443) is 1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide is O=C(NCc1ncccc1F)c1cnn(CC2CCCN(Cc3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZFTUVGFPUSGIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O/c25-19-6-3-9-26-22(19)12-27-24(33)18-11-28-32(15-18)14-17-5-4-10-31(13-17)16-23-29-20-7-1-2-8-21(20)30-23/h1-3,6-9,11,15,17H,4-5,10,12-14,16H2,(H,27,33)(H,29,30).
What are the key properties of 1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide?
1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129067443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).