5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide

C25H27N7O — CID 175790512

IUPAC5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
SMILESCCN(CC)CCn1cc(-c2ccc(C(N)=O)nc2-c2ccncc2)c(-c2ccccn2)n1
InChIInChI=1S/C25H27N7O/c1-3-31(4-2)15-16-32-17-20(24(30-32)21-7-5-6-12-28-21)19-8-9-22(25(26)33)29-23(19)18-10-13-27-14-11-18/h5-14,17H,3-4,15-16H2,1-2H3,(H2,26,33)
InChIKeyKCJYKNQRAGQBPC-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.51
Rot. Bonds9

About 5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide

5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 175790512) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
PubChem CID175790512
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
SMILESCCN(CC)CCn1cc(-c2ccc(C(N)=O)nc2-c2ccncc2)c(-c2ccccn2)n1
InChIInChI=1S/C25H27N7O/c1-3-31(4-2)15-16-32-17-20(24(30-32)21-7-5-6-12-28-21)19-8-9-22(25(26)33)29-23(19)18-10-13-27-14-11-18/h5-14,17H,3-4,15-16H2,1-2H3,(H2,26,33)
InChIKeyKCJYKNQRAGQBPC-UHFFFAOYSA-N
XLogP3.51
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide?
The IUPAC name of 5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide (CID 175790512) is 5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide is CCN(CC)CCn1cc(-c2ccc(C(N)=O)nc2-c2ccncc2)c(-c2ccccn2)n1.
What is the InChIKey of 5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide?
The InChIKey is KCJYKNQRAGQBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-3-31(4-2)15-16-32-17-20(24(30-32)21-7-5-6-12-28-21)19-8-9-22(25(26)33)29-23(19)18-10-13-27-14-11-18/h5-14,17H,3-4,15-16H2,1-2H3,(H2,26,33).
What are the key properties of 5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide?
5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 175790512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).