6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine

C23H30F2N8 — CID 162729778

IUPAC6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine
SMILESCCc1nc(-c2nnn(C)c2Cn2nncc2CC2CC2)ccc1N1C[C@@H](C)CC(F)(F)C1
InChIInChI=1S/C23H30F2N8/c1-4-18-20(32-12-15(2)10-23(24,25)14-32)8-7-19(27-18)22-21(31(3)30-28-22)13-33-17(11-26-29-33)9-16-5-6-16/h7-8,11,15-16H,4-6,9-10,12-14H2,1-3H3/t15-/m0/s1
InChIKeyGBMANXFGOORGJV-HNNXBMFYSA-N
MW456.55 g/mol
LogP3.51
Rot. Bonds7

About 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine

6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine (PubChem CID 162729778) has the molecular formula C23H30F2N8 and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine.

Molecular Properties

Compound Name6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine
PubChem CID162729778
Molecular FormulaC23H30F2N8
Molecular Weight456.55 g/mol
Exact Mass456.26
IUPAC Name6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine
SMILESCCc1nc(-c2nnn(C)c2Cn2nncc2CC2CC2)ccc1N1C[C@@H](C)CC(F)(F)C1
InChIInChI=1S/C23H30F2N8/c1-4-18-20(32-12-15(2)10-23(24,25)14-32)8-7-19(27-18)22-21(31(3)30-28-22)13-33-17(11-26-29-33)9-16-5-6-16/h7-8,11,15-16H,4-6,9-10,12-14H2,1-3H3/t15-/m0/s1
InChIKeyGBMANXFGOORGJV-HNNXBMFYSA-N
XLogP3.51
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

l-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyltriazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118059804
3-[4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-1-yl]pyridine
CID 132224407
4-[4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]triazol-1-yl]pyridine
CID 132224411
3-[1-[3-(Trifluoromethyl)phenyl]triazol-4-yl]pyridine
CID 150339157
2-[1-[4-(Trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-yl]pyridine
CID 122389019
US10227327, Example 12
CID 118001104
3-[3-[4-(Trifluoromethyl)phenyl]triazol-4-yl]pyridine
CID 13714300
2-[3-(3,4-Difluorophenyl)triazol-4-yl]pyridine
CID 13949170
1-[(1-Methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine
CID 29257990
6,6-Difluoro-9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decane
CID 118745923
2-{1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-2-piperidinyl}pyridine
CID 56918216
l-[(4,4-Difluorocyclohexyl)methyl]-6-(1,5-dimethylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 118059661

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine?
The IUPAC name of 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine (CID 162729778) is 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine.
What is the SMILES notation for 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine?
The canonical SMILES for 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine is CCc1nc(-c2nnn(C)c2Cn2nncc2CC2CC2)ccc1N1C[C@@H](C)CC(F)(F)C1.
What is the InChIKey of 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine?
The InChIKey is GBMANXFGOORGJV-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H30F2N8/c1-4-18-20(32-12-15(2)10-23(24,25)14-32)8-7-19(27-18)22-21(31(3)30-28-22)13-33-17(11-26-29-33)9-16-5-6-16/h7-8,11,15-16H,4-6,9-10,12-14H2,1-3H3/t15-/m0/s1.
What are the key properties of 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine?
6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine has a molecular weight of 456.55 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[5-(cyclopropylmethyl)triazol-1-yl]methyl]-1-methyltriazol-4-yl]-3-[(5S)-3,3-difluoro-5-methylpiperidin-1-yl]-2-ethylpyridine is sourced from PubChem (CID 162729778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).