3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile

C23H24FN5O — CID 57470404

IUPAC3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESCOc1cccc(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2C#N)CC1
InChIInChI=1S/C23H24FN5O/c1-30-20-4-2-3-18(24)22(20)16-7-10-28(11-8-16)19-9-12-29-21(13-15-5-6-15)26-27-23(29)17(19)14-25/h2-4,9,12,15-16H,5-8,10-11,13H2,1H3
InChIKeyIXNUFIBOZJDDGM-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.09
Rot. Bonds5

About 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile

3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (PubChem CID 57470404) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
PubChem CID57470404
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESCOc1cccc(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2C#N)CC1
InChIInChI=1S/C23H24FN5O/c1-30-20-4-2-3-18(24)22(20)16-7-10-28(11-8-16)19-9-12-29-21(13-15-5-6-15)26-27-23(29)17(19)14-25/h2-4,9,12,15-16H,5-8,10-11,13H2,1H3
InChIKeyIXNUFIBOZJDDGM-UHFFFAOYSA-N
XLogP4.09
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The IUPAC name of 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (CID 57470404) is 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The canonical SMILES for 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is COc1cccc(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2C#N)CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The InChIKey is IXNUFIBOZJDDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-30-20-4-2-3-18(24)22(20)16-7-10-28(11-8-16)19-9-12-29-21(13-15-5-6-15)26-27-23(29)17(19)14-25/h2-4,9,12,15-16H,5-8,10-11,13H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile has a molecular weight of 405.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is sourced from PubChem (CID 57470404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).