(2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone

C20H26N6O — CID 83272689

IUPAC(2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(c2nc3ccncc3n2CC(C)C)C1
InChIInChI=1S/C20H26N6O/c1-4-26-17(6-9-22-26)20(27)24-10-7-15(13-24)19-23-16-5-8-21-11-18(16)25(19)12-14(2)3/h5-6,8-9,11,14-15H,4,7,10,12-13H2,1-3H3
InChIKeyLLSOCDZDLZETFU-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.93
Rot. Bonds5

About (2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 83272689) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID83272689
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(c2nc3ccncc3n2CC(C)C)C1
InChIInChI=1S/C20H26N6O/c1-4-26-17(6-9-22-26)20(27)24-10-7-15(13-24)19-23-16-5-8-21-11-18(16)25(19)12-14(2)3/h5-6,8-9,11,14-15H,4,7,10,12-13H2,1-3H3
InChIKeyLLSOCDZDLZETFU-UHFFFAOYSA-N
XLogP2.93
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone (CID 83272689) is (2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(c2nc3ccncc3n2CC(C)C)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is LLSOCDZDLZETFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-4-26-17(6-9-22-26)20(27)24-10-7-15(13-24)19-23-16-5-8-21-11-18(16)25(19)12-14(2)3/h5-6,8-9,11,14-15H,4,7,10,12-13H2,1-3H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 83272689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).