[3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

C25H25FN4O3 — CID 142680258

IUPAC[3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3ccc(C(=O)N4CCN(C)CC4)c(N)n3)c2)c(F)c1
InChIInChI=1S/C25H25FN4O3/c1-15-3-5-17(20(26)13-15)23(32)16-4-8-22(31)19(14-16)21-7-6-18(24(27)28-21)25(33)30-11-9-29(2)10-12-30/h3-8,13-14,31H,9-12H2,1-2H3,(H2,27,28)
InChIKeyYPECLILRNSYHCW-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.10
Rot. Bonds4

About [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

[3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (PubChem CID 142680258) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
PubChem CID142680258
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name[3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3ccc(C(=O)N4CCN(C)CC4)c(N)n3)c2)c(F)c1
InChIInChI=1S/C25H25FN4O3/c1-15-3-5-17(20(26)13-15)23(32)16-4-8-22(31)19(14-16)21-7-6-18(24(27)28-21)25(33)30-11-9-29(2)10-12-30/h3-8,13-14,31H,9-12H2,1-2H3,(H2,27,28)
InChIKeyYPECLILRNSYHCW-UHFFFAOYSA-N
XLogP3.10
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

4-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-yl]-N-(2-piperidin-1-yl-ethyl)-benzamide
CID 135469553
2-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-yl]-N-(2-piperidin-1-yl-ethyl)-benzamide
CID 135530494
3-[2-Amino-3-cyano-6-(2-hydroxy-phenyl)-pyridin-4-yl]-N-(2-piperidin-1-yl-ethyl)-benzamide
CID 136094916
[4-[5-Amino-6-(4-hydroxyphenyl)pyrazin-2-yl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
CID 136207308
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 29151051
3-[1-[4-[4-Hydroxy-3-methyl-5-(trifluoromethyl)benzoyl]-6-methylpyridin-2-yl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 24961613
[4-[6-Amino-2-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-5-hydroxy-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 67013736
[3-[2-Amino-6-(aziridin-1-yl)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135401115
[3-[2-Amino-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135404957
[3-[2-Amino-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135430742
2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 135430782
2-Amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 135461021

Frequently Asked Questions

What is the IUPAC name of [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (CID 142680258) is [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(O)c(-c3ccc(C(=O)N4CCN(C)CC4)c(N)n3)c2)c(F)c1.
What is the InChIKey of [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is YPECLILRNSYHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-15-3-5-17(20(26)13-15)23(32)16-4-8-22(31)19(14-16)21-7-6-18(24(27)28-21)25(33)30-11-9-29(2)10-12-30/h3-8,13-14,31H,9-12H2,1-2H3,(H2,27,28).
What are the key properties of [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
[3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 448.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-amino-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 142680258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).