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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Related Compounds

5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 163975060
5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 157128500
N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide
CID 171521006
7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 157170486
tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 167561978
5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 149125509
N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide
CID 171521274
5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 163788128
N-[4-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-1-yl]methyl]phenyl]prop-2-enamide
CID 171521032
N-[3-(4-cyanophenyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260618
N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide
CID 171521078
5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 159566958

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).