8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one

C22H28FN5O3 — CID 164621879

IUPAC8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(C3=CCOCC3)cnc(NC3CCN(C(=O)C(F)CN)CC3)c2[nH]c1=O
InChIInChI=1S/C22H28FN5O3/c1-13-10-16-17(14-4-8-31-9-5-14)12-25-20(19(16)27-21(13)29)26-15-2-6-28(7-3-15)22(30)18(23)11-24/h4,10,12,15,18H,2-3,5-9,11,24H2,1H3,(H,25,26)(H,27,29)
InChIKeyUVVAQGWHNXKWKB-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.73
Rot. Bonds5

About 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one

8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one (PubChem CID 164621879) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
PubChem CID164621879
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC Name8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(C3=CCOCC3)cnc(NC3CCN(C(=O)C(F)CN)CC3)c2[nH]c1=O
InChIInChI=1S/C22H28FN5O3/c1-13-10-16-17(14-4-8-31-9-5-14)12-25-20(19(16)27-21(13)29)26-15-2-6-28(7-3-15)22(30)18(23)11-24/h4,10,12,15,18H,2-3,5-9,11,24H2,1H3,(H,25,26)(H,27,29)
InChIKeyUVVAQGWHNXKWKB-UHFFFAOYSA-N
XLogP1.73
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one with MolForge

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Related Compounds

8-[[1-(3-amino-2,2-difluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
CID 164620863
8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one
CID 156613431
8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
CID 164614980
8-[[1-(3-amino-2-fluoropropyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
CID 164620383
(3r,4r)-3-(Cyclohexylmethoxy)piperidin-4-Yl]amino}-3-Methyl-1,2-Dihydro-1,7-Naphthyridin-2-One
CID 91826677
[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methyl carbamate
CID 122179617
8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one
CID 164611373
8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
CID 164616886
8-[[1-(3-amino-2,2-difluoropropanoyl)piperidin-4-yl]amino]-3-but-3-enyl-5-(3,6-dihydro-2H-pyran-4-yl)-1H-1,7-naphthyridin-2-one
CID 164619005
8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one
CID 164623012
8-[[1-(3-amino-2,2-difluoropropyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
CID 164627363
(3R,4R)-4-[(3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl)amino]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 162652853

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one (CID 164621879) is 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one is Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(C(=O)C(F)CN)CC3)c2[nH]c1=O.
What is the InChIKey of 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
The InChIKey is UVVAQGWHNXKWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-13-10-16-17(14-4-8-31-9-5-14)12-25-20(19(16)27-21(13)29)26-15-2-6-28(7-3-15)22(30)18(23)11-24/h4,10,12,15,18H,2-3,5-9,11,24H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one has a molecular weight of 429.50 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(3-amino-2-fluoropropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 164621879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).