4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C20H25N7O — CID 131910485

IUPAC4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCc1nn(CCNC(=O)N2CCc3[nH]cnc3C2c2ccncc2)c(C)c1C
InChIInChI=1S/C20H25N7O/c1-13-14(2)25-27(15(13)3)11-9-22-20(28)26-10-6-17-18(24-12-23-17)19(26)16-4-7-21-8-5-16/h4-5,7-8,12,19H,6,9-11H2,1-3H3,(H,22,28)(H,23,24)
InChIKeyRJUBZUVUGKZUHS-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.28
Rot. Bonds4

About 4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 131910485) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID131910485
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCc1nn(CCNC(=O)N2CCc3[nH]cnc3C2c2ccncc2)c(C)c1C
InChIInChI=1S/C20H25N7O/c1-13-14(2)25-27(15(13)3)11-9-22-20(28)26-10-6-17-18(24-12-23-17)19(26)16-4-7-21-8-5-16/h4-5,7-8,12,19H,6,9-11H2,1-3H3,(H,22,28)(H,23,24)
InChIKeyRJUBZUVUGKZUHS-UHFFFAOYSA-N
XLogP2.28
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 131910485) is 4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is Cc1nn(CCNC(=O)N2CCc3[nH]cnc3C2c2ccncc2)c(C)c1C.
What is the InChIKey of 4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is RJUBZUVUGKZUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-13-14(2)25-27(15(13)3)11-9-22-20(28)26-10-6-17-18(24-12-23-17)19(26)16-4-7-21-8-5-16/h4-5,7-8,12,19H,6,9-11H2,1-3H3,(H,22,28)(H,23,24).
What are the key properties of 4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 131910485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).