(3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine

C25H28FN5O4 — CID 123454027

IUPAC(3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine
SMILESCOc1ccc2ncc3c(c2n1)C(CN1CC[C@H](NCc2cc4c(cn2)OCCO4)[C@@H](F)C1)CO3
InChIInChI=1S/C25H28FN5O4/c1-32-23-3-2-19-25(30-23)24-15(14-35-22(24)11-29-19)12-31-5-4-18(17(26)13-31)28-9-16-8-20-21(10-27-16)34-7-6-33-20/h2-3,8,10-11,15,17-18,28H,4-7,9,12-14H2,1H3/t15?,17-,18-/m0/s1
InChIKeyWTJRHMFSLABGGU-BEEDKBRMSA-N
MW481.53 g/mol
LogP2.48
Rot. Bonds6

About (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine

(3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine (PubChem CID 123454027) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine
PubChem CID123454027
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Name(3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine
SMILESCOc1ccc2ncc3c(c2n1)C(CN1CC[C@H](NCc2cc4c(cn2)OCCO4)[C@@H](F)C1)CO3
InChIInChI=1S/C25H28FN5O4/c1-32-23-3-2-19-25(30-23)24-15(14-35-22(24)11-29-19)12-31-5-4-18(17(26)13-31)28-9-16-8-20-21(10-27-16)34-7-6-33-20/h2-3,8,10-11,15,17-18,28H,4-7,9,12-14H2,1H3/t15?,17-,18-/m0/s1
InChIKeyWTJRHMFSLABGGU-BEEDKBRMSA-N
XLogP2.48
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride
CID 10097081
(1S,5R)-3-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 66970716
(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 10297708
1-(3-bromo-6-methoxy-1,5-naphthyridin-4-yl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethanol;dihydrochloride
CID 10031539
4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-3-ol
CID 10414943
(1S)-2,2-dideuterio-1-[(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 88545619
4-[3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl]-6-methoxypyrido[2,3-b]pyrazin-3-one
CID 25101119
4-[2-[(3S,4S)-3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile
CID 11705599
(3R)-3-[[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]methyl]-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 24872164
[1-[3-(6-chloro-3-methoxyquinoxalin-5-yl)oxy-2-hydroxypropyl]piperidin-4-yl] N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)carbamate
CID 140548270
2-[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]-1-(2-methoxyquinolin-8-yl)ethanol
CID 58989684
10-[[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]methyl]-8-methoxy-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one;dihydrochloride
CID 68556261

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine?
The IUPAC name of (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine (CID 123454027) is (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine.
What is the SMILES notation for (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine?
The canonical SMILES for (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine is COc1ccc2ncc3c(c2n1)C(CN1CC[C@H](NCc2cc4c(cn2)OCCO4)[C@@H](F)C1)CO3.
What is the InChIKey of (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine?
The InChIKey is WTJRHMFSLABGGU-BEEDKBRMSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-32-23-3-2-19-25(30-23)24-15(14-35-22(24)11-29-19)12-31-5-4-18(17(26)13-31)28-9-16-8-20-21(10-27-16)34-7-6-33-20/h2-3,8,10-11,15,17-18,28H,4-7,9,12-14H2,1H3/t15?,17-,18-/m0/s1.
What are the key properties of (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine?
(3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine has a molecular weight of 481.53 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-3-fluoro-1-[(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 123454027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).