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

C22H30FN5O2 — CID 164620383

IUPAC8-[[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
SMILESCc1cc2c(C3=CCOCC3)cnc(NC3CCN(CC(F)CN)CC3)c2[nH]c1=O
InChIInChI=1S/C22H30FN5O2/c1-14-10-18-19(15-4-8-30-9-5-15)12-25-21(20(18)27-22(14)29)26-17-2-6-28(7-3-17)13-16(23)11-24/h4,10,12,16-17H,2-3,5-9,11,13,24H2,1H3,(H,25,26)(H,27,29)
InChIKeyVYLXKWNNJKIVCU-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.21
Rot. Bonds6

About 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

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 (PubChem CID 164620383) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[[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
PubChem CID164620383
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name8-[[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
SMILESCc1cc2c(C3=CCOCC3)cnc(NC3CCN(CC(F)CN)CC3)c2[nH]c1=O
InChIInChI=1S/C22H30FN5O2/c1-14-10-18-19(15-4-8-30-9-5-15)12-25-21(20(18)27-22(14)29)26-17-2-6-28(7-3-17)13-16(23)11-24/h4,10,12,16-17H,2-3,5-9,11,13,24H2,1H3,(H,25,26)(H,27,29)
InChIKeyVYLXKWNNJKIVCU-UHFFFAOYSA-N
XLogP2.21
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(CC(F)CN)CC3)c2[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is VYLXKWNNJKIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-14-10-18-19(15-4-8-30-9-5-15)12-25-21(20(18)27-22(14)29)26-17-2-6-28(7-3-17)13-16(23)11-24/h4,10,12,16-17H,2-3,5-9,11,13,24H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 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?
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 has a molecular weight of 415.51 g/mol, XLogP of 2.21, 6 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-fluoropropyl)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 164620383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).