7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine

C21H17FN6 — CID 162491029

IUPAC7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1ccc(-c2cnn(CC(F)C3CC3)c2)c(-c2ccn3ccnc3c2)n1
InChIInChI=1S/C21H17FN6/c1-23-19-5-4-17(16-11-25-28(12-16)13-18(22)14-2-3-14)21(26-19)15-6-8-27-9-7-24-20(27)10-15/h4-12,14,18H,2-3,13H2
InChIKeyKCSVTAYUVHUTJL-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.56
Rot. Bonds5

About 7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine

7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 162491029) has the molecular formula C21H17FN6 and a molecular weight of 372.41 g/mol. Its IUPAC name is 7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID162491029
Molecular FormulaC21H17FN6
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1ccc(-c2cnn(CC(F)C3CC3)c2)c(-c2ccn3ccnc3c2)n1
InChIInChI=1S/C21H17FN6/c1-23-19-5-4-17(16-11-25-28(12-16)13-18(22)14-2-3-14)21(26-19)15-6-8-27-9-7-24-20(27)10-15/h4-12,14,18H,2-3,13H2
InChIKeyKCSVTAYUVHUTJL-UHFFFAOYSA-N
XLogP4.56
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137371552
7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline
CID 162502519
5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137374261
6-imidazo[1,2-a]pyridin-7-yl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374015
5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373899
2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137374017
3,3-difluoro-4-[4-(6-isocyano-2-quinolin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylbutan-2-ol
CID 162502564
7-[3-[1-[(2,2-dimethylcyclopropyl)methyl]pyrazol-4-yl]-6-isocyano-2-pyridinyl]-3-methoxycinnoline
CID 162502529
6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137389387
5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137371520
5-[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373800
5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137374130

Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine (CID 162491029) is 7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine is [C-]#[N+]c1ccc(-c2cnn(CC(F)C3CC3)c2)c(-c2ccn3ccnc3c2)n1.
What is the InChIKey of 7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is KCSVTAYUVHUTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6/c1-23-19-5-4-17(16-11-25-28(12-16)13-18(22)14-2-3-14)21(26-19)15-6-8-27-9-7-24-20(27)10-15/h4-12,14,18H,2-3,13H2.
What are the key properties of 7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine?
7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 372.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 162491029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).