3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide

C20H27N7O — CID 154839182

IUPAC3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)C1
InChIInChI=1S/C20H27N7O/c1-4-25(5-2)16-9-11-26(14-16)20(28)23-19-18(15-12-21-24(3)13-15)22-17-8-6-7-10-27(17)19/h6-8,10,12-13,16H,4-5,9,11,14H2,1-3H3,(H,23,28)
InChIKeyKFWQOTSQDHHOJR-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.68
Rot. Bonds5

About 3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide

3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 154839182) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide
PubChem CID154839182
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)C1
InChIInChI=1S/C20H27N7O/c1-4-25(5-2)16-9-11-26(14-16)20(28)23-19-18(15-12-21-24(3)13-15)22-17-8-6-7-10-27(17)19/h6-8,10,12-13,16H,4-5,9,11,14H2,1-3H3,(H,23,28)
InChIKeyKFWQOTSQDHHOJR-UHFFFAOYSA-N
XLogP2.68
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide (CID 154839182) is 3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide is CCN(CC)C1CCN(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)C1.
What is the InChIKey of 3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is KFWQOTSQDHHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-4-25(5-2)16-9-11-26(14-16)20(28)23-19-18(15-12-21-24(3)13-15)22-17-8-6-7-10-27(17)19/h6-8,10,12-13,16H,4-5,9,11,14H2,1-3H3,(H,23,28).
What are the key properties of 3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide?
3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154839182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).