6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine

C23H21ClF2N6 — CID 146661784

IUPAC6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine
SMILESFc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(NC[C@H]4CCCCN4)cc3n2)cc1Cl
InChIInChI=1S/C23H21ClF2N6/c24-17-8-15(18(25)9-19(17)26)23-16(12-30-32-23)20-4-5-21-22(31-20)7-14(11-29-21)28-10-13-3-1-2-6-27-13/h4-5,7-9,11-13,27-28H,1-3,6,10H2,(H,30,32)/t13-/m1/s1
InChIKeyOXSOHYUGSAUMID-CYBMUJFWSA-N
MW454.91 g/mol
LogP5.17
Rot. Bonds5

About 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine

6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine (PubChem CID 146661784) has the molecular formula C23H21ClF2N6 and a molecular weight of 454.91 g/mol. Its IUPAC name is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine
PubChem CID146661784
Molecular FormulaC23H21ClF2N6
Molecular Weight454.91 g/mol
Exact Mass454.15
IUPAC Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine
SMILESFc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(NC[C@H]4CCCCN4)cc3n2)cc1Cl
InChIInChI=1S/C23H21ClF2N6/c24-17-8-15(18(25)9-19(17)26)23-16(12-30-32-23)20-4-5-21-22(31-20)7-14(11-29-21)28-10-13-3-1-2-6-27-13/h4-5,7-9,11-13,27-28H,1-3,6,10H2,(H,30,32)/t13-/m1/s1
InChIKeyOXSOHYUGSAUMID-CYBMUJFWSA-N
XLogP5.17
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.91
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine (CID 146661784) is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine is Fc1cc(F)c(-c2[nH]ncc2-c2ccc3ncc(NC[C@H]4CCCCN4)cc3n2)cc1Cl.
What is the InChIKey of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine?
The InChIKey is OXSOHYUGSAUMID-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H21ClF2N6/c24-17-8-15(18(25)9-19(17)26)23-16(12-30-32-23)20-4-5-21-22(31-20)7-14(11-29-21)28-10-13-3-1-2-6-27-13/h4-5,7-9,11-13,27-28H,1-3,6,10H2,(H,30,32)/t13-/m1/s1.
What are the key properties of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine has a molecular weight of 454.91 g/mol, XLogP of 5.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).