2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone

C25H29N7O2 — CID 167823356

IUPAC2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESCc1cncc(CC(=O)N2CCCC(C3CCN(C(=O)c4ccc(-c5ncn[nH]5)nc4)C3)C2)c1
InChIInChI=1S/C25H29N7O2/c1-17-9-18(12-26-11-17)10-23(33)31-7-2-3-20(14-31)21-6-8-32(15-21)25(34)19-4-5-22(27-13-19)24-28-16-29-30-24/h4-5,9,11-13,16,20-21H,2-3,6-8,10,14-15H2,1H3,(H,28,29,30)
InChIKeyRSMJNTZUCJGKIQ-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.51
Rot. Bonds5

About 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone

2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone (PubChem CID 167823356) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
PubChem CID167823356
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESCc1cncc(CC(=O)N2CCCC(C3CCN(C(=O)c4ccc(-c5ncn[nH]5)nc4)C3)C2)c1
InChIInChI=1S/C25H29N7O2/c1-17-9-18(12-26-11-17)10-23(33)31-7-2-3-20(14-31)21-6-8-32(15-21)25(34)19-4-5-22(27-13-19)24-28-16-29-30-24/h4-5,9,11-13,16,20-21H,2-3,6-8,10,14-15H2,1H3,(H,28,29,30)
InChIKeyRSMJNTZUCJGKIQ-UHFFFAOYSA-N
XLogP2.51
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone
CID 166328150
1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 166328159
1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 166328161
2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone
CID 166328151
[(5aS,9aR)-1,2,3,4,5,5a,6,8,9,9a-decahydropyrido[4,3-b]azepin-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 110124578
1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 167954604
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-amino-3-pyridinyl)methanone
CID 55037357
(E)-1-[2-(2H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]-3-(4-methylphenyl)prop-2-en-1-one
CID 139458466
azepan-1-yl-[1-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167448880
[1-(4-methylbenzoyl)piperidin-4-yl]-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131918079
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 95727322
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 95727323

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone (CID 167823356) is 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone is Cc1cncc(CC(=O)N2CCCC(C3CCN(C(=O)c4ccc(-c5ncn[nH]5)nc4)C3)C2)c1.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is RSMJNTZUCJGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-17-9-18(12-26-11-17)10-23(33)31-7-2-3-20(14-31)21-6-8-32(15-21)25(34)19-4-5-22(27-13-19)24-28-16-29-30-24/h4-5,9,11-13,16,20-21H,2-3,6-8,10,14-15H2,1H3,(H,28,29,30).
What are the key properties of 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone?
2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 459.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-pyridinyl)-1-[3-[1-[6-(1H-1,2,4-triazol-5-yl)pyridine-3-carbonyl]pyrrolidin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167823356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).