2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C21H23F3N8S — CID 142624282

IUPAC2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CCCCN1.Cc1nsc(-c2ccc3c(-c4nc(N)ncc4C(F)(F)F)c[nH]c3n2)n1
InChIInChI=1S/C15H10F3N7S.C6H13N/c1-6-22-13(26-25-6)10-3-2-7-8(4-20-12(7)23-10)11-9(15(16,17)18)5-21-14(19)24-11;1-6-4-2-3-5-7-6/h2-5H,1H3,(H,20,23)(H2,19,21,24);6-7H,2-5H2,1H3
InChIKeyZOLQXJDAOBLHLW-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.60
Rot. Bonds2

About 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 142624282) has the molecular formula C21H23F3N8S and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID142624282
Molecular FormulaC21H23F3N8S
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CCCCN1.Cc1nsc(-c2ccc3c(-c4nc(N)ncc4C(F)(F)F)c[nH]c3n2)n1
InChIInChI=1S/C15H10F3N7S.C6H13N/c1-6-22-13(26-25-6)10-3-2-7-8(4-20-12(7)23-10)11-9(15(16,17)18)5-21-14(19)24-11;1-6-4-2-3-5-7-6/h2-5H,1H3,(H,20,23)(H2,19,21,24);6-7H,2-5H2,1H3
InChIKeyZOLQXJDAOBLHLW-UHFFFAOYSA-N
XLogP4.60
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
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N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126537450
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
1-(1-Benzylpiperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973425
2-Methyl-1-(Piperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 57339437
US20230339900, Example 20
CID 162761031
N-(2-methyl-4-(2-(pyrrolidin-1-yl)ethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 16046217
trans-N1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl)cyclohexane-1,4-diamine
CID 44415997
5-[5-(1-methylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 76685062
N-(3-Fluoropyridin-4-YL)-2-(6-methylpyridin-2-YL)-7H-pyrrolo[2,3-D]pyrimidin-4-amine
CID 126537506
N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 142751812
N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 154940270

Frequently Asked Questions

What is the IUPAC name of 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 142624282) is 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is CC1CCCCN1.Cc1nsc(-c2ccc3c(-c4nc(N)ncc4C(F)(F)F)c[nH]c3n2)n1.
What is the InChIKey of 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZOLQXJDAOBLHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7S.C6H13N/c1-6-22-13(26-25-6)10-3-2-7-8(4-20-12(7)23-10)11-9(15(16,17)18)5-21-14(19)24-11;1-6-4-2-3-5-7-6/h2-5H,1H3,(H,20,23)(H2,19,21,24);6-7H,2-5H2,1H3.
What are the key properties of 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 476.53 g/mol, XLogP of 4.60, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperidine;4-[6-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 142624282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).