4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine

C42H50F2N8O2 — CID 171539834

IUPAC4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFc1cccc(N2CC[C@@H](Nc3cc(N4CCOCC4C4CN(c5ccnc6c5CCCN6[C@@H]5CCCN(c6cccc(F)c6)C5)CCO4)ccn3)C2)c1
InChIInChI=1S/C42H50F2N8O2/c43-30-5-1-7-33(23-30)48-16-3-9-36(27-48)52-17-4-10-37-38(12-15-46-42(37)52)50-19-22-54-40(28-50)39-29-53-21-20-51(39)35-11-14-45-41(25-35)47-32-13-18-49(26-32)34-8-2-6-31(44)24-34/h1-2,5-8,11-12,14-15,23-25,32,36,39-40H,3-4,9-10,13,16-22,26-29H2,(H,45,47)/t32-,36-,39?,40?/m1/s1
InChIKeyHLRRQPZDZBUBLV-ZSBTUFEUSA-N
MW736.91 g/mol
LogP5.98
Rot. Bonds8

About 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine

4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 171539834) has the molecular formula C42H50F2N8O2 and a molecular weight of 736.91 g/mol. Its IUPAC name is 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID171539834
Molecular FormulaC42H50F2N8O2
Molecular Weight736.91 g/mol
Exact Mass736.40
IUPAC Name4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFc1cccc(N2CC[C@@H](Nc3cc(N4CCOCC4C4CN(c5ccnc6c5CCCN6[C@@H]5CCCN(c6cccc(F)c6)C5)CCO4)ccn3)C2)c1
InChIInChI=1S/C42H50F2N8O2/c43-30-5-1-7-33(23-30)48-16-3-9-36(27-48)52-17-4-10-37-38(12-15-46-42(37)52)50-19-22-54-40(28-50)39-29-53-21-20-51(39)35-11-14-45-41(25-35)47-32-13-18-49(26-32)34-8-2-6-31(44)24-34/h1-2,5-8,11-12,14-15,23-25,32,36,39-40H,3-4,9-10,13,16-22,26-29H2,(H,45,47)/t32-,36-,39?,40?/m1/s1
InChIKeyHLRRQPZDZBUBLV-ZSBTUFEUSA-N
XLogP5.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.91
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine with MolForge

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Related Compounds

2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494066
2-N-benzyl-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494034
3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3R)-oxolan-3-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118310219
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3R)-oxolan-3-yl]pyrido[3,4-b]pyrazin-3-amine
CID 118310228
3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118320399
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazin-3-amine
CID 118320505
7-(3-fluoro-4-morpholin-4-ylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113341
(S)-N-(morpholin-2-ylmethyl)-7-(4-morpholinophenyl)pyrido[4,3-b]pyrazin-5-amine
CID 71113404
1-(2,5-Difluorobenzyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 24853330
N-(2,5-Di-4-morpholinyl-3-pyridinyl)-5-fluoro-3-methyl-2-(3-pyridinyl)-4-quinolinamine
CID 50905280
N-(2,5-Di-4-morpholinyl-3-pyridinyl)-7-fluoro-3-methyl-2-(3-pyridinyl)-4-quinolinamine
CID 50905495

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine (CID 171539834) is 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine is Fc1cccc(N2CC[C@@H](Nc3cc(N4CCOCC4C4CN(c5ccnc6c5CCCN6[C@@H]5CCCN(c6cccc(F)c6)C5)CCO4)ccn3)C2)c1.
What is the InChIKey of 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is HLRRQPZDZBUBLV-ZSBTUFEUSA-N. The full InChI is InChI=1S/C42H50F2N8O2/c43-30-5-1-7-33(23-30)48-16-3-9-36(27-48)52-17-4-10-37-38(12-15-46-42(37)52)50-19-22-54-40(28-50)39-29-53-21-20-51(39)35-11-14-45-41(25-35)47-32-13-18-49(26-32)34-8-2-6-31(44)24-34/h1-2,5-8,11-12,14-15,23-25,32,36,39-40H,3-4,9-10,13,16-22,26-29H2,(H,45,47)/t32-,36-,39?,40?/m1/s1.
What are the key properties of 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine?
4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 736.91 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[8-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6,7-dihydro-5H-1,8-naphthyridin-4-yl]morpholin-2-yl]morpholin-4-yl]-N-[(3R)-1-(3-fluorophenyl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 171539834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).