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

C26H35FN8O — CID 166546646

IUPACN-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
SMILESCO[C@H]1CCN(c2nccc(Nc3cc4c(C(C)C)cnc(N5CCCN(C)C5)c4cn3)n2)C[C@H]1F
InChIInChI=1S/C26H35FN8O/c1-17(2)19-13-30-25(35-10-5-9-33(3)16-35)20-14-29-24(12-18(19)20)31-23-6-8-28-26(32-23)34-11-7-22(36-4)21(27)15-34/h6,8,12-14,17,21-22H,5,7,9-11,15-16H2,1-4H3,(H,28,29,31,32)/t21-,22+/m1/s1
InChIKeyWNQUNWPVXOBNJQ-YADHBBJMSA-N
MW494.62 g/mol
LogP3.95
Rot. Bonds6

About N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(3-methyl-1,3-diazinan-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-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine (PubChem CID 166546646) has the molecular formula C26H35FN8O and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(3-methyl-1,3-diazinan-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-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
PubChem CID166546646
Molecular FormulaC26H35FN8O
Molecular Weight494.62 g/mol
Exact Mass494.29
IUPAC NameN-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
SMILESCO[C@H]1CCN(c2nccc(Nc3cc4c(C(C)C)cnc(N5CCCN(C)C5)c4cn3)n2)C[C@H]1F
InChIInChI=1S/C26H35FN8O/c1-17(2)19-13-30-25(35-10-5-9-33(3)16-35)20-14-29-24(12-18(19)20)31-23-6-8-28-26(32-23)34-11-7-22(36-4)21(27)15-34/h6,8,12-14,17,21-22H,5,7,9-11,15-16H2,1-4H3,(H,28,29,31,32)/t21-,22+/m1/s1
InChIKeyWNQUNWPVXOBNJQ-YADHBBJMSA-N
XLogP3.95
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(3-methyl-1,3-diazinan-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-(3-methyl-1,3-diazinan-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-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine (CID 166546646) is N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(3-methyl-1,3-diazinan-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-(3-methyl-1,3-diazinan-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-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine is CO[C@H]1CCN(c2nccc(Nc3cc4c(C(C)C)cnc(N5CCCN(C)C5)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-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine?
The InChIKey is WNQUNWPVXOBNJQ-YADHBBJMSA-N. The full InChI is InChI=1S/C26H35FN8O/c1-17(2)19-13-30-25(35-10-5-9-33(3)16-35)20-14-29-24(12-18(19)20)31-23-6-8-28-26(32-23)34-11-7-22(36-4)21(27)15-34/h6,8,12-14,17,21-22H,5,7,9-11,15-16H2,1-4H3,(H,28,29,31,32)/t21-,22+/m1/s1.
What are the key properties of N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(3-methyl-1,3-diazinan-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-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine has a molecular weight of 494.62 g/mol, XLogP of 3.95, 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-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine is sourced from PubChem (CID 166546646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).