N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide

C24H22ClFN6O — CID 118046486

IUPACN-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide
SMILESCn1cc(-c2cnc(N)c(-c3ccc(C(=O)NC(CN)c4cccc(Cl)c4)c(F)c3)c2)cn1
InChIInChI=1S/C24H22ClFN6O/c1-32-13-17(12-30-32)16-8-20(23(28)29-11-16)14-5-6-19(21(26)9-14)24(33)31-22(10-27)15-3-2-4-18(25)7-15/h2-9,11-13,22H,10,27H2,1H3,(H2,28,29)(H,31,33)
InChIKeyVTTKPUUNRGGFCU-UHFFFAOYSA-N
MW464.93 g/mol
LogP3.95
Rot. Bonds6

About N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide

N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 118046486) has the molecular formula C24H22ClFN6O and a molecular weight of 464.93 g/mol. Its IUPAC name is N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide
PubChem CID118046486
Molecular FormulaC24H22ClFN6O
Molecular Weight464.93 g/mol
Exact Mass464.15
IUPAC NameN-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide
SMILESCn1cc(-c2cnc(N)c(-c3ccc(C(=O)NC(CN)c4cccc(Cl)c4)c(F)c3)c2)cn1
InChIInChI=1S/C24H22ClFN6O/c1-32-13-17(12-30-32)16-8-20(23(28)29-11-16)14-5-6-19(21(26)9-14)24(33)31-22(10-27)15-3-2-4-18(25)7-15/h2-9,11-13,22H,10,27H2,1H3,(H2,28,29)(H,31,33)
InChIKeyVTTKPUUNRGGFCU-UHFFFAOYSA-N
XLogP3.95
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-((2-Amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(4-chlorophenyl)-4-methylbenzamide
CID 145996526
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10647621
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718220
[2-Chloro-4-(1-methyl-1H-pyrazol-3-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone
CID 9931699
(3-Chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10621510
(3-Chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10622421
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide
CID 66550111
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-carboxamide
CID 66550112
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 66553511
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]benzamide
CID 118408899
1-Amino-4-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-isoquinoline-6-carboxylic acid cyclopropylamide
CID 118660651
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(3-chlorophenyl)-4-methylbenzamide
CID 155513098

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide (CID 118046486) is N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide is Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)NC(CN)c4cccc(Cl)c4)c(F)c3)c2)cn1.
What is the InChIKey of N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is VTTKPUUNRGGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O/c1-32-13-17(12-30-32)16-8-20(23(28)29-11-16)14-5-6-19(21(26)9-14)24(33)31-22(10-27)15-3-2-4-18(25)7-15/h2-9,11-13,22H,10,27H2,1H3,(H2,28,29)(H,31,33).
What are the key properties of N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide?
N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 464.93 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 118046486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).