N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine

C36H26F2N10O — CID 157195499

IUPACN-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2ncc(NC=O)n2c1.[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)n[nH]c3C)cn12
InChIInChI=1S/C18H14FN5O.C18H12FN5/c1-11-17(18(23-22-11)12-2-5-14(19)6-3-12)13-4-7-15-20-8-16(21-10-25)24(15)9-13;1-11-17(18(23-22-11)12-3-6-14(19)7-4-12)13-5-8-15-21-9-16(20-2)24(15)10-13/h2-10H,1H3,(H,21,25)(H,22,23);3-10H,1H3,(H,22,23)
InChIKeyAQEWGBHYVNZVJX-UHFFFAOYSA-N
MW652.67 g/mol
LogP7.80
Rot. Bonds6

About N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine

N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 157195499) has the molecular formula C36H26F2N10O and a molecular weight of 652.67 g/mol. Its IUPAC name is N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound NameN-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID157195499
Molecular FormulaC36H26F2N10O
Molecular Weight652.67 g/mol
Exact Mass652.23
IUPAC NameN-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2ncc(NC=O)n2c1.[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)n[nH]c3C)cn12
InChIInChI=1S/C18H14FN5O.C18H12FN5/c1-11-17(18(23-22-11)12-2-5-14(19)6-3-12)13-4-7-15-20-8-16(21-10-25)24(15)9-13;1-11-17(18(23-22-11)12-3-6-14(19)7-4-12)13-5-8-15-21-9-16(20-2)24(15)10-13/h2-10H,1H3,(H,21,25)(H,22,23);3-10H,1H3,(H,22,23)
InChIKeyAQEWGBHYVNZVJX-UHFFFAOYSA-N
XLogP7.80
TPSA125.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.67
LogP ≤ 57.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-((5-(3-(5-fluoro-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497849
Ipivivint
CID 136213660
Pyrrolidinyl urea derivative 13
CID 71471488
(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-bis(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71459516
1-[4-[1-ethyl-4-[2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46888385
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62705990
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62705991
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706157
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(4-methyl-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706158
N-[3-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-(1H-pyrazol-5-ylamino)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide
CID 62706315
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methylimidazol-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706316
N-((5-(3-(5,6-difluoro-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497850

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (CID 157195499) is N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is Cc1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2ncc(NC=O)n2c1.[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)n[nH]c3C)cn12.
What is the InChIKey of N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is AQEWGBHYVNZVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O.C18H12FN5/c1-11-17(18(23-22-11)12-2-5-14(19)6-3-12)13-4-7-15-20-8-16(21-10-25)24(15)9-13;1-11-17(18(23-22-11)12-3-6-14(19)7-4-12)13-5-8-15-21-9-16(20-2)24(15)10-13/h2-10H,1H3,(H,21,25)(H,22,23);3-10H,1H3,(H,22,23).
What are the key properties of N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 652.67 g/mol, XLogP of 7.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 157195499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).