N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine

C27H35FN8O — CID 166546641

IUPACN-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
SMILESCO[C@H]1CCN(c2nccc(Nc3cc4c(C(C)C)cnc(N5CCC56CN(C)C6)c4cn3)n2)C[C@H]1F
InChIInChI=1S/C27H35FN8O/c1-17(2)19-12-31-25(36-10-7-27(36)15-34(3)16-27)20-13-30-24(11-18(19)20)32-23-5-8-29-26(33-23)35-9-6-22(37-4)21(28)14-35/h5,8,11-13,17,21-22H,6-7,9-10,14-16H2,1-4H3,(H,29,30,32,33)/t21-,22+/m1/s1
InChIKeyBAEZOZHZMJOSDT-YADHBBJMSA-N
MW506.63 g/mol
LogP3.74
Rot. Bonds6

About N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine

N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine (PubChem CID 166546641) has the molecular formula C27H35FN8O and a molecular weight of 506.63 g/mol. Its IUPAC name is N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine.

Molecular Properties

Compound NameN-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
PubChem CID166546641
Molecular FormulaC27H35FN8O
Molecular Weight506.63 g/mol
Exact Mass506.29
IUPAC NameN-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
SMILESCO[C@H]1CCN(c2nccc(Nc3cc4c(C(C)C)cnc(N5CCC56CN(C)C6)c4cn3)n2)C[C@H]1F
InChIInChI=1S/C27H35FN8O/c1-17(2)19-12-31-25(36-10-7-27(36)15-34(3)16-27)20-13-30-24(11-18(19)20)32-23-5-8-29-26(33-23)35-9-6-22(37-4)21(28)14-35/h5,8,11-13,17,21-22H,6-7,9-10,14-16H2,1-4H3,(H,29,30,32,33)/t21-,22+/m1/s1
InChIKeyBAEZOZHZMJOSDT-YADHBBJMSA-N
XLogP3.74
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine?
The IUPAC name of N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine (CID 166546641) is N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine.
What is the SMILES notation for N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine?
The canonical SMILES for N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine is CO[C@H]1CCN(c2nccc(Nc3cc4c(C(C)C)cnc(N5CCC56CN(C)C6)c4cn3)n2)C[C@H]1F.
What is the InChIKey of N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine?
The InChIKey is BAEZOZHZMJOSDT-YADHBBJMSA-N. The full InChI is InChI=1S/C27H35FN8O/c1-17(2)19-12-31-25(36-10-7-27(36)15-34(3)16-27)20-13-30-24(11-18(19)20)32-23-5-8-29-26(33-23)35-9-6-22(37-4)21(28)14-35/h5,8,11-13,17,21-22H,6-7,9-10,14-16H2,1-4H3,(H,29,30,32,33)/t21-,22+/m1/s1.
What are the key properties of N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine?
N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine has a molecular weight of 506.63 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine is sourced from PubChem (CID 166546641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).