1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

C23H25N7O — CID 158111737

IUPAC1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCc1cc(C)nc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCCC4)nc3c2)c1
InChIInChI=1S/C23H25N7O/c1-15-10-16(2)25-19(11-15)18-14-24-28(3)22(18)20(31)12-17-6-9-30-21(13-17)26-23(27-30)29-7-4-5-8-29/h6,9-11,13-14H,4-5,7-8,12H2,1-3H3
InChIKeyWOTFUHQKWHRSGZ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.17
Rot. Bonds5

About 1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 158111737) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
PubChem CID158111737
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCc1cc(C)nc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCCC4)nc3c2)c1
InChIInChI=1S/C23H25N7O/c1-15-10-16(2)25-19(11-15)18-14-24-28(3)22(18)20(31)12-17-6-9-30-21(13-17)26-23(27-30)29-7-4-5-8-29/h6,9-11,13-14H,4-5,7-8,12H2,1-3H3
InChIKeyWOTFUHQKWHRSGZ-UHFFFAOYSA-N
XLogP3.17
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 158111737) is 1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is Cc1cc(C)nc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCCC4)nc3c2)c1.
What is the InChIKey of 1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The InChIKey is WOTFUHQKWHRSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-15-10-16(2)25-19(11-15)18-14-24-28(3)22(18)20(31)12-17-6-9-30-21(13-17)26-23(27-30)29-7-4-5-8-29/h6,9-11,13-14H,4-5,7-8,12H2,1-3H3.
What are the key properties of 1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 415.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 158111737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).