6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C27H36N8O2 — CID 121468436

IUPAC6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1cc(C2=CC(C(C)(C)C)N(C(=O)O)CC2)c2nc(NC3CCN(c4cc(C)ncn4)CC3)nn2c1
InChIInChI=1S/C27H36N8O2/c1-17-12-21(19-6-11-34(26(36)37)22(14-19)27(3,4)5)24-31-25(32-35(24)15-17)30-20-7-9-33(10-8-20)23-13-18(2)28-16-29-23/h12-16,20,22H,6-11H2,1-5H3,(H,30,32)(H,36,37)
InChIKeyZMJBTUZXYYMYLP-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.40
Rot. Bonds4

About 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 121468436) has the molecular formula C27H36N8O2 and a molecular weight of 504.64 g/mol. Its IUPAC name is 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID121468436
Molecular FormulaC27H36N8O2
Molecular Weight504.64 g/mol
Exact Mass504.30
IUPAC Name6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1cc(C2=CC(C(C)(C)C)N(C(=O)O)CC2)c2nc(NC3CCN(c4cc(C)ncn4)CC3)nn2c1
InChIInChI=1S/C27H36N8O2/c1-17-12-21(19-6-11-34(26(36)37)22(14-19)27(3,4)5)24-31-25(32-35(24)15-17)30-20-7-9-33(10-8-20)23-13-18(2)28-16-29-23/h12-16,20,22H,6-11H2,1-5H3,(H,30,32)(H,36,37)
InChIKeyZMJBTUZXYYMYLP-UHFFFAOYSA-N
XLogP4.40
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid with MolForge

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Related Compounds

8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58398083
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141318206
4-[6-methyl-2-[(6-methylpyrimidin-4-yl)-piperidin-4-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 71133765
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
N-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133305493
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
8-(3,4-difluorophenyl)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58398073
N-cyclopropyl-2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 133297271
1-[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194079
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 129490037
8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397984

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 121468436) is 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is Cc1cc(C2=CC(C(C)(C)C)N(C(=O)O)CC2)c2nc(NC3CCN(c4cc(C)ncn4)CC3)nn2c1.
What is the InChIKey of 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is ZMJBTUZXYYMYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O2/c1-17-12-21(19-6-11-34(26(36)37)22(14-19)27(3,4)5)24-31-25(32-35(24)15-17)30-20-7-9-33(10-8-20)23-13-18(2)28-16-29-23/h12-16,20,22H,6-11H2,1-5H3,(H,30,32)(H,36,37).
What are the key properties of 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 504.64 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-[6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 121468436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).