7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine

C24H23ClN4O — CID 66784246

IUPAC7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3C)cc2Cl)c(C)n1
InChIInChI=1S/C24H23ClN4O/c1-14-4-8-21(16(3)26-14)30-22-9-7-18(13-20(22)25)19-10-11-29-23(12-17-5-6-17)27-28-24(29)15(19)2/h4,7-11,13,17H,5-6,12H2,1-3H3
InChIKeyBIQNBHANPGMDHM-UHFFFAOYSA-N
MW418.93 g/mol
LogP6.11
Rot. Bonds5

About 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine

7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66784246) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66784246
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3C)cc2Cl)c(C)n1
InChIInChI=1S/C24H23ClN4O/c1-14-4-8-21(16(3)26-14)30-22-9-7-18(13-20(22)25)19-10-11-29-23(12-17-5-6-17)27-28-24(29)15(19)2/h4,7-11,13,17H,5-6,12H2,1-3H3
InChIKeyBIQNBHANPGMDHM-UHFFFAOYSA-N
XLogP6.11
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 66784246) is 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc(Oc2ccc(-c3ccn4c(CC5CC5)nnc4c3C)cc2Cl)c(C)n1.
What is the InChIKey of 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BIQNBHANPGMDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c1-14-4-8-21(16(3)26-14)30-22-9-7-18(13-20(22)25)19-10-11-29-23(12-17-5-6-17)27-28-24(29)15(19)2/h4,7-11,13,17H,5-6,12H2,1-3H3.
What are the key properties of 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 418.93 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-chloro-4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66784246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).