N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide

C31H32FN7O2 — CID 175872370

IUPACN-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2cc(Nc3ccc(N4CC5(CNC5)C4)cn3)c3c(=O)[nH]ccc3n2)cc1F)C1CCCCC1
InChIInChI=1S/C31H32FN7O2/c32-22-12-20(6-8-23(22)38-29(40)19-4-2-1-3-5-19)25-13-26(28-24(36-25)10-11-34-30(28)41)37-27-9-7-21(14-35-27)39-17-31(18-39)15-33-16-31/h6-14,19,33H,1-5,15-18H2,(H,34,41)(H,38,40)(H,35,36,37)
InChIKeyQYVNHGONIGINCN-UHFFFAOYSA-N
MW553.64 g/mol
LogP4.80
Rot. Bonds6

About N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide

N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide (PubChem CID 175872370) has the molecular formula C31H32FN7O2 and a molecular weight of 553.64 g/mol. Its IUPAC name is N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide
PubChem CID175872370
Molecular FormulaC31H32FN7O2
Molecular Weight553.64 g/mol
Exact Mass553.26
IUPAC NameN-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2cc(Nc3ccc(N4CC5(CNC5)C4)cn3)c3c(=O)[nH]ccc3n2)cc1F)C1CCCCC1
InChIInChI=1S/C31H32FN7O2/c32-22-12-20(6-8-23(22)38-29(40)19-4-2-1-3-5-19)25-13-26(28-24(36-25)10-11-34-30(28)41)37-27-9-7-21(14-35-27)39-17-31(18-39)15-33-16-31/h6-14,19,33H,1-5,15-18H2,(H,34,41)(H,38,40)(H,35,36,37)
InChIKeyQYVNHGONIGINCN-UHFFFAOYSA-N
XLogP4.80
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.64
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]cyclohexanecarboxamide
CID 164882628
N-[3-fluoro-4-[4-[[5-[(3S)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 167232846
N-[3-fluoro-4-[4-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882414
N-[3-fluoro-4-[4-[[5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882580
N-[4-[4-[[5-[(3aR)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]cyclohexanecarboxamide
CID 175872387
2-[2-fluoro-5-(pyrrolidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882438
2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882898
2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 175872369
4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile
CID 164882839
2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882741
2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164883062
2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 167232799

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide (CID 175872370) is N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2cc(Nc3ccc(N4CC5(CNC5)C4)cn3)c3c(=O)[nH]ccc3n2)cc1F)C1CCCCC1.
What is the InChIKey of N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide?
The InChIKey is QYVNHGONIGINCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O2/c32-22-12-20(6-8-23(22)38-29(40)19-4-2-1-3-5-19)25-13-26(28-24(36-25)10-11-34-30(28)41)37-27-9-7-21(14-35-27)39-17-31(18-39)15-33-16-31/h6-14,19,33H,1-5,15-18H2,(H,34,41)(H,38,40)(H,35,36,37).
What are the key properties of N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide?
N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide has a molecular weight of 553.64 g/mol, XLogP of 4.80, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-2-fluorophenyl]cyclohexanecarboxamide is sourced from PubChem (CID 175872370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).