8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine

C21H21ClF2N4 — CID 57459487

IUPAC8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1
InChIInChI=1S/C21H21ClF2N4/c22-20-18(7-10-28-19(11-13-1-2-13)25-26-21(20)28)27-8-5-14(6-9-27)16-4-3-15(23)12-17(16)24/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2
InChIKeyVEYCZBOQOUBOIW-UHFFFAOYSA-N
MW402.88 g/mol
LogP5.00
Rot. Bonds4

About 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 57459487) has the molecular formula C21H21ClF2N4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID57459487
Molecular FormulaC21H21ClF2N4
Molecular Weight402.88 g/mol
Exact Mass402.14
IUPAC Name8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1
InChIInChI=1S/C21H21ClF2N4/c22-20-18(7-10-28-19(11-13-1-2-13)25-26-21(20)28)27-8-5-14(6-9-27)16-4-3-15(23)12-17(16)24/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2
InChIKeyVEYCZBOQOUBOIW-UHFFFAOYSA-N
XLogP5.00
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 57459487) is 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1.
What is the InChIKey of 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VEYCZBOQOUBOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N4/c22-20-18(7-10-28-19(11-13-1-2-13)25-26-21(20)28)27-8-5-14(6-9-27)16-4-3-15(23)12-17(16)24/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2.
What are the key properties of 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 402.88 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 57459487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).