N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide

C21H16N6O — CID 171521019

IUPACN-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2cc(-c3cnn(C)c3)cc3ncc(C#N)n23)cc1
InChIInChI=1S/C21H16N6O/c1-3-21(28)25-17-6-4-14(5-7-17)19-8-15(16-11-24-26(2)13-16)9-20-23-12-18(10-22)27(19)20/h3-9,11-13H,1H2,2H3,(H,25,28)
InChIKeyNIHWQLXNAJPAEM-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.40
Rot. Bonds4

About N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide

N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide (PubChem CID 171521019) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide
PubChem CID171521019
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC NameN-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2cc(-c3cnn(C)c3)cc3ncc(C#N)n23)cc1
InChIInChI=1S/C21H16N6O/c1-3-21(28)25-17-6-4-14(5-7-17)19-8-15(16-11-24-26(2)13-16)9-20-23-12-18(10-22)27(19)20/h3-9,11-13H,1H2,2H3,(H,25,28)
InChIKeyNIHWQLXNAJPAEM-UHFFFAOYSA-N
XLogP3.40
TPSA88.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide (CID 171521019) is N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2cc(-c3cnn(C)c3)cc3ncc(C#N)n23)cc1.
What is the InChIKey of N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide?
The InChIKey is NIHWQLXNAJPAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-3-21(28)25-17-6-4-14(5-7-17)19-8-15(16-11-24-26(2)13-16)9-20-23-12-18(10-22)27(19)20/h3-9,11-13H,1H2,2H3,(H,25,28).
What are the key properties of N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide?
N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide has a molecular weight of 368.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 171521019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).