6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide

C27H34N10O — CID 58563202

IUPAC6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cnn(C(C)C)c2)cc1-n1cc(-c2cncc(N3CCN(C(C)C)CC3)c2)nn1
InChIInChI=1S/C27H34N10O/c1-18(2)34-6-8-35(9-7-34)24-10-21(12-28-15-24)25-17-37(33-32-25)26-11-22(13-29-20(26)5)27(38)31-23-14-30-36(16-23)19(3)4/h10-19H,6-9H2,1-5H3,(H,31,38)
InChIKeyCETPNTOYRBHCMF-UHFFFAOYSA-N
MW514.64 g/mol
LogP3.59
Rot. Bonds7

About 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide

6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 58563202) has the molecular formula C27H34N10O and a molecular weight of 514.64 g/mol. Its IUPAC name is 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID58563202
Molecular FormulaC27H34N10O
Molecular Weight514.64 g/mol
Exact Mass514.29
IUPAC Name6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cnn(C(C)C)c2)cc1-n1cc(-c2cncc(N3CCN(C(C)C)CC3)c2)nn1
InChIInChI=1S/C27H34N10O/c1-18(2)34-6-8-35(9-7-34)24-10-21(12-28-15-24)25-17-37(33-32-25)26-11-22(13-29-20(26)5)27(38)31-23-14-30-36(16-23)19(3)4/h10-19H,6-9H2,1-5H3,(H,31,38)
InChIKeyCETPNTOYRBHCMF-UHFFFAOYSA-N
XLogP3.59
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.64
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide (CID 58563202) is 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cnn(C(C)C)c2)cc1-n1cc(-c2cncc(N3CCN(C(C)C)CC3)c2)nn1.
What is the InChIKey of 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is CETPNTOYRBHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N10O/c1-18(2)34-6-8-35(9-7-34)24-10-21(12-28-15-24)25-17-37(33-32-25)26-11-22(13-29-20(26)5)27(38)31-23-14-30-36(16-23)19(3)4/h10-19H,6-9H2,1-5H3,(H,31,38).
What are the key properties of 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide?
6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 514.64 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[4-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 58563202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).