N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

C25H30FN5O2 — CID 10392057

IUPACN-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCC5)CC3)c2n1
InChIInChI=1S/C25H30FN5O2/c1-32-24-5-4-22-25(30-24)20(21(26)15-29-22)8-11-31-9-6-18(7-10-31)27-14-19-13-17-3-2-12-33-23(17)16-28-19/h4-5,13,15-16,18,27H,2-3,6-12,14H2,1H3
InChIKeyGBXVQARLKNBFGX-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.29
Rot. Bonds7

About N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine (PubChem CID 10392057) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
PubChem CID10392057
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC NameN-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCC5)CC3)c2n1
InChIInChI=1S/C25H30FN5O2/c1-32-24-5-4-22-25(30-24)20(21(26)15-29-22)8-11-31-9-6-18(7-10-31)27-14-19-13-17-3-2-12-33-23(17)16-28-19/h4-5,13,15-16,18,27H,2-3,6-12,14H2,1H3
InChIKeyGBXVQARLKNBFGX-UHFFFAOYSA-N
XLogP3.29
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine with MolForge

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Related Compounds

(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
6-{5-[(2S)-2-amino-3-(quinolin-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23647000
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
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
CID 10097082
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyridin-2-amine
CID 66556032
5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine
CID 66556036
N,N-dimethyl-5-(5-{[(3R)-3-piperidinylmethyl]oxy}pyrido[3,4-b]pyrazin-7-yl)-2-pyridinamine
CID 66556365
6-[[[(3R,6S)-6-[1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67365574
6-[[[(3R,6S)-6-[1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67366123

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine (CID 10392057) is N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine is COc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCC5)CC3)c2n1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The InChIKey is GBXVQARLKNBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-32-24-5-4-22-25(30-24)20(21(26)15-29-22)8-11-31-9-6-18(7-10-31)27-14-19-13-17-3-2-12-33-23(17)16-28-19/h4-5,13,15-16,18,27H,2-3,6-12,14H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine has a molecular weight of 451.55 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 10392057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).