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

C34H42FN7O2 — CID 156752686

IUPAC7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one
SMILESCc1ccc(N2CCC[C@H](C(NCc3cn(C(C)C)c4nc(N5C[C@H](O)CC5F)ccc4c3=O)c3ccnc(C)c3)C2)cn1
InChIInChI=1S/C34H42FN7O2/c1-21(2)41-19-26(33(44)29-9-10-31(39-34(29)41)42-20-28(43)15-30(42)35)16-38-32(24-11-12-36-23(4)14-24)25-6-5-13-40(18-25)27-8-7-22(3)37-17-27/h7-12,14,17,19,21,25,28,30,32,38,43H,5-6,13,15-16,18,20H2,1-4H3/t25-,28+,30?,32?/m0/s1
InChIKeyRABIZHPEKXGTQX-RRTLRCLPSA-N
MW599.76 g/mol
LogP5.00
Rot. Bonds8

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

7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one (PubChem CID 156752686) has the molecular formula C34H42FN7O2 and a molecular weight of 599.76 g/mol. Its IUPAC name is 7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one
PubChem CID156752686
Molecular FormulaC34H42FN7O2
Molecular Weight599.76 g/mol
Exact Mass599.34
IUPAC Name7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one
SMILESCc1ccc(N2CCC[C@H](C(NCc3cn(C(C)C)c4nc(N5C[C@H](O)CC5F)ccc4c3=O)c3ccnc(C)c3)C2)cn1
InChIInChI=1S/C34H42FN7O2/c1-21(2)41-19-26(33(44)29-9-10-31(39-34(29)41)42-20-28(43)15-30(42)35)16-38-32(24-11-12-36-23(4)14-24)25-6-5-13-40(18-25)27-8-7-22(3)37-17-27/h7-12,14,17,19,21,25,28,30,32,38,43H,5-6,13,15-16,18,20H2,1-4H3/t25-,28+,30?,32?/m0/s1
InChIKeyRABIZHPEKXGTQX-RRTLRCLPSA-N
XLogP5.00
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.76
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-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-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one?
The IUPAC name of 7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one (CID 156752686) is 7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one is Cc1ccc(N2CCC[C@H](C(NCc3cn(C(C)C)c4nc(N5C[C@H](O)CC5F)ccc4c3=O)c3ccnc(C)c3)C2)cn1.
What is the InChIKey of 7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one?
The InChIKey is RABIZHPEKXGTQX-RRTLRCLPSA-N. The full InChI is InChI=1S/C34H42FN7O2/c1-21(2)41-19-26(33(44)29-9-10-31(39-34(29)41)42-20-28(43)15-30(42)35)16-38-32(24-11-12-36-23(4)14-24)25-6-5-13-40(18-25)27-8-7-22(3)37-17-27/h7-12,14,17,19,21,25,28,30,32,38,43H,5-6,13,15-16,18,20H2,1-4H3/t25-,28+,30?,32?/m0/s1.
What are the key properties of 7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one?
7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one has a molecular weight of 599.76 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4R)-2-fluoro-4-hydroxypyrrolidin-1-yl]-3-[[[(2-methyl-4-pyridinyl)-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]methyl]amino]methyl]-1-propan-2-yl-1,8-naphthyridin-4-one is sourced from PubChem (CID 156752686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).