(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C20H24N8O — CID 70739574

IUPAC(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCn1nnc2cc(C(=O)N3CCC(c4cc(N5CCCC5)ncn4)CC3)cnc21
InChIInChI=1S/C20H24N8O/c1-26-19-17(24-25-26)10-15(12-21-19)20(29)28-8-4-14(5-9-28)16-11-18(23-13-22-16)27-6-2-3-7-27/h10-14H,2-9H2,1H3
InChIKeyCMIXLYOAYZCSLJ-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.77
Rot. Bonds3

About (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 70739574) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID70739574
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCn1nnc2cc(C(=O)N3CCC(c4cc(N5CCCC5)ncn4)CC3)cnc21
InChIInChI=1S/C20H24N8O/c1-26-19-17(24-25-26)10-15(12-21-19)20(29)28-8-4-14(5-9-28)16-11-18(23-13-22-16)27-6-2-3-7-27/h10-14H,2-9H2,1H3
InChIKeyCMIXLYOAYZCSLJ-UHFFFAOYSA-N
XLogP1.77
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70740617
[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900074
[4-(6-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(furan-3-yl)methanone
CID 72854787
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
CID 95208918
(4aS,8aR)-1-(3-methylbutyl)-6-(3-methyltriazolo[4,5-b]pyridine-6-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70718438
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357867
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109341569
1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 126850117
N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 86795418
2-morpholin-2-yl-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 70787883
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 70739574) is (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is Cn1nnc2cc(C(=O)N3CCC(c4cc(N5CCCC5)ncn4)CC3)cnc21.
What is the InChIKey of (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is CMIXLYOAYZCSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-26-19-17(24-25-26)10-15(12-21-19)20(29)28-8-4-14(5-9-28)16-11-18(23-13-22-16)27-6-2-3-7-27/h10-14H,2-9H2,1H3.
What are the key properties of (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 392.47 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70739574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).