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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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).