1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid

C16H17ClN4O2 — CID 57390334

IUPAC1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cn2nc(C(C)C)cc12
InChIInChI=1S/C16H17ClN4O2/c1-9(2)13-6-15-11(5-12(17)8-21(15)18-13)7-20-10(3)4-14(19-20)16(22)23/h4-6,8-9H,7H2,1-3H3,(H,22,23)
InChIKeyMZBKGEWKSJUBDD-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.36
Rot. Bonds4

About 1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid

1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 57390334) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID57390334
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cn2nc(C(C)C)cc12
InChIInChI=1S/C16H17ClN4O2/c1-9(2)13-6-15-11(5-12(17)8-21(15)18-13)7-20-10(3)4-14(19-20)16(22)23/h4-6,8-9H,7H2,1-3H3,(H,22,23)
InChIKeyMZBKGEWKSJUBDD-UHFFFAOYSA-N
XLogP3.36
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid (CID 57390334) is 1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1Cc1cc(Cl)cn2nc(C(C)C)cc12.
What is the InChIKey of 1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is MZBKGEWKSJUBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-9(2)13-6-15-11(5-12(17)8-21(15)18-13)7-20-10(3)4-14(19-20)16(22)23/h4-6,8-9H,7H2,1-3H3,(H,22,23).
What are the key properties of 1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 332.79 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-propan-2-ylpyrazolo[1,5-a]pyridin-4-yl)methyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 57390334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).