3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine

C19H24ClFN4 — CID 166093964

IUPAC3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine
SMILESCC(C)[C@@H]1CN(c2ccc(-c3cc(Cl)c(N)nc3F)cc2)CCN1C
InChIInChI=1S/C19H24ClFN4/c1-12(2)17-11-25(9-8-24(17)3)14-6-4-13(5-7-14)15-10-16(20)19(22)23-18(15)21/h4-7,10,12,17H,8-9,11H2,1-3H3,(H2,22,23)/t17-/m0/s1
InChIKeyOWJXOMXYSZGZOB-KRWDZBQOSA-N
MW362.88 g/mol
LogP3.90
Rot. Bonds3

About 3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine

3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine (PubChem CID 166093964) has the molecular formula C19H24ClFN4 and a molecular weight of 362.88 g/mol. Its IUPAC name is 3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine
PubChem CID166093964
Molecular FormulaC19H24ClFN4
Molecular Weight362.88 g/mol
Exact Mass362.17
IUPAC Name3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine
SMILESCC(C)[C@@H]1CN(c2ccc(-c3cc(Cl)c(N)nc3F)cc2)CCN1C
InChIInChI=1S/C19H24ClFN4/c1-12(2)17-11-25(9-8-24(17)3)14-6-4-13(5-7-14)15-10-16(20)19(22)23-18(15)21/h4-7,10,12,17H,8-9,11H2,1-3H3,(H2,22,23)/t17-/m0/s1
InChIKeyOWJXOMXYSZGZOB-KRWDZBQOSA-N
XLogP3.90
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine
CID 166094685
6-[3-amino-6-[2-fluoro-4-(4-methyl-3-propan-2-ylpiperazin-1-yl)phenyl]pyrazin-2-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 174227382
6-[2-amino-5-[4-(4-methyl-3-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 167196811
2-(difluoromethyl)-4-(4-fluorophenyl)-1-methylpiperazine
CID 90268032
6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-4-chloro-2H-2,7-naphthyridin-1-one
CID 166094502
(2S)-1-methyl-2-propan-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
CID 166092940
(2R)-1-methyl-4-(4-methyl-3-methylsulfonylphenyl)-2-propan-2-ylpiperazine
CID 130304947
6-fluoro-3-(4-methyl-1-methylidene-2H-isoquinolin-6-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-2-amine
CID 166093848
6-[2-amino-6-fluoro-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
CID 166094420
6-fluoro-3-(8-fluoro-1-methylidene-2H-isoquinolin-6-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-2-amine
CID 166094585
6-fluoro-3-(8-fluoro-1-methylidene-2H-isoquinolin-6-yl)-5-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
CID 166093555
6-[2-amino-5-[4-[4-[(1S)-1-cyclopropylethyl]piperazin-1-yl]phenyl]-6-fluoro-3-pyridinyl]-8-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 166093700

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine?
The IUPAC name of 3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine (CID 166093964) is 3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine is CC(C)[C@@H]1CN(c2ccc(-c3cc(Cl)c(N)nc3F)cc2)CCN1C.
What is the InChIKey of 3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine?
The InChIKey is OWJXOMXYSZGZOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24ClFN4/c1-12(2)17-11-25(9-8-24(17)3)14-6-4-13(5-7-14)15-10-16(20)19(22)23-18(15)21/h4-7,10,12,17H,8-9,11H2,1-3H3,(H2,22,23)/t17-/m0/s1.
What are the key properties of 3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine?
3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine has a molecular weight of 362.88 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-5-[4-[(3R)-4-methyl-3-propan-2-ylpiperazin-1-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 166093964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).