3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide

C20H17ClN6O2 — CID 103599210

IUPAC3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(Oc2cccnc2)c1NC(=O)C=Cc1c(Cl)nc2ccccn12
InChIInChI=1S/C20H17ClN6O2/c1-13-18(20(26(2)25-13)29-14-6-5-10-22-12-14)24-17(28)9-8-15-19(21)23-16-7-3-4-11-27(15)16/h3-12H,1-2H3,(H,24,28)
InChIKeyXIXCPVXDWNALQK-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.87
Rot. Bonds5

About 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide (PubChem CID 103599210) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide
PubChem CID103599210
Molecular FormulaC20H17ClN6O2
Molecular Weight408.85 g/mol
Exact Mass408.11
IUPAC Name3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(Oc2cccnc2)c1NC(=O)C=Cc1c(Cl)nc2ccccn12
InChIInChI=1S/C20H17ClN6O2/c1-13-18(20(26(2)25-13)29-14-6-5-10-22-12-14)24-17(28)9-8-15-19(21)23-16-7-3-4-11-27(15)16/h3-12H,1-2H3,(H,24,28)
InChIKeyXIXCPVXDWNALQK-UHFFFAOYSA-N
XLogP3.87
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide?
The IUPAC name of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide (CID 103599210) is 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide?
The canonical SMILES for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide is Cc1nn(C)c(Oc2cccnc2)c1NC(=O)C=Cc1c(Cl)nc2ccccn12.
What is the InChIKey of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide?
The InChIKey is XIXCPVXDWNALQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2/c1-13-18(20(26(2)25-13)29-14-6-5-10-22-12-14)24-17(28)9-8-15-19(21)23-16-7-3-4-11-27(15)16/h3-12H,1-2H3,(H,24,28).
What are the key properties of 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide?
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide has a molecular weight of 408.85 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 103599210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).