(2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone

C23H27N5O — CID 131671563

IUPAC(2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCCC(c2nc3ccc(N4CCCC4)cn3n2)C1
InChIInChI=1S/C23H27N5O/c1-17-7-2-3-9-20(17)23(29)27-14-6-8-18(15-27)22-24-21-11-10-19(16-28(21)25-22)26-12-4-5-13-26/h2-3,7,9-11,16,18H,4-6,8,12-15H2,1H3
InChIKeyNCPDZLBRFCJDMJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.66
Rot. Bonds3

About (2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone

(2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 131671563) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is (2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID131671563
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name(2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCCC(c2nc3ccc(N4CCCC4)cn3n2)C1
InChIInChI=1S/C23H27N5O/c1-17-7-2-3-9-20(17)23(29)27-14-6-8-18(15-27)22-24-21-11-10-19(16-28(21)25-22)26-12-4-5-13-26/h2-3,7,9-11,16,18H,4-6,8,12-15H2,1H3
InChIKeyNCPDZLBRFCJDMJ-UHFFFAOYSA-N
XLogP3.66
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 131669075
1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 131671565
2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155827756
furan-2-yl-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
CID 97362299
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155839671
2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 131669042
(6-methyl-2-pyridinyl)-[3-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155853426
[3-(4-methoxyphenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146942
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
[3-(4-chlorophenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146469
(5-methylfuran-2-yl)-[3-(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
CID 131671485

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone (CID 131671563) is (2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCCC(c2nc3ccc(N4CCCC4)cn3n2)C1.
What is the InChIKey of (2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is NCPDZLBRFCJDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-7-2-3-9-20(17)23(29)27-14-6-8-18(15-27)22-24-21-11-10-19(16-28(21)25-22)26-12-4-5-13-26/h2-3,7,9-11,16,18H,4-6,8,12-15H2,1H3.
What are the key properties of (2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone?
(2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 131671563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).