7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one

C30H32ClFN6O — CID 155388648

IUPAC7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one
SMILESCc1ccc(N2CCC[C@H](N(Cc3ccnc(C)c3)Cc3cn(C4CC4)c4nc(Cl)c(F)cc4c3=O)C2)cn1
InChIInChI=1S/C30H32ClFN6O/c1-19-5-6-24(14-34-19)36-11-3-4-25(18-36)37(15-21-9-10-33-20(2)12-21)16-22-17-38(23-7-8-23)30-26(28(22)39)13-27(32)29(31)35-30/h5-6,9-10,12-14,17,23,25H,3-4,7-8,11,15-16,18H2,1-2H3/t25-/m0/s1
InChIKeyMMMWEFOPIHZBAL-VWLOTQADSA-N
MW547.08 g/mol
LogP5.60
Rot. Bonds7

About 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one

7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one (PubChem CID 155388648) has the molecular formula C30H32ClFN6O and a molecular weight of 547.08 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one
PubChem CID155388648
Molecular FormulaC30H32ClFN6O
Molecular Weight547.08 g/mol
Exact Mass546.23
IUPAC Name7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one
SMILESCc1ccc(N2CCC[C@H](N(Cc3ccnc(C)c3)Cc3cn(C4CC4)c4nc(Cl)c(F)cc4c3=O)C2)cn1
InChIInChI=1S/C30H32ClFN6O/c1-19-5-6-24(14-34-19)36-11-3-4-25(18-36)37(15-21-9-10-33-20(2)12-21)16-22-17-38(23-7-8-23)30-26(28(22)39)13-27(32)29(31)35-30/h5-6,9-10,12-14,17,23,25H,3-4,7-8,11,15-16,18H2,1-2H3/t25-/m0/s1
InChIKeyMMMWEFOPIHZBAL-VWLOTQADSA-N
XLogP5.60
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.08
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one 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 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one?
The IUPAC name of 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one (CID 155388648) is 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one is Cc1ccc(N2CCC[C@H](N(Cc3ccnc(C)c3)Cc3cn(C4CC4)c4nc(Cl)c(F)cc4c3=O)C2)cn1.
What is the InChIKey of 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one?
The InChIKey is MMMWEFOPIHZBAL-VWLOTQADSA-N. The full InChI is InChI=1S/C30H32ClFN6O/c1-19-5-6-24(14-34-19)36-11-3-4-25(18-36)37(15-21-9-10-33-20(2)12-21)16-22-17-38(23-7-8-23)30-26(28(22)39)13-27(32)29(31)35-30/h5-6,9-10,12-14,17,23,25H,3-4,7-8,11,15-16,18H2,1-2H3/t25-/m0/s1.
What are the key properties of 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one?
7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one has a molecular weight of 547.08 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 155388648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).