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

C22H29F2N5O2 — CID 164627363

IUPAC8-[[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
SMILESCc1cc2c(C3=CCOCC3)cnc(NC3CCN(CC(F)(F)CN)CC3)c2[nH]c1=O
InChIInChI=1S/C22H29F2N5O2/c1-14-10-17-18(15-4-8-31-9-5-15)11-26-20(19(17)28-21(14)30)27-16-2-6-29(7-3-16)13-22(23,24)12-25/h4,10-11,16H,2-3,5-9,12-13,25H2,1H3,(H,26,27)(H,28,30)
InChIKeyCSLBGKLETZVQLB-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.51
Rot. Bonds6

About 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

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 (PubChem CID 164627363) has the molecular formula C22H29F2N5O2 and a molecular weight of 433.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[[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
PubChem CID164627363
Molecular FormulaC22H29F2N5O2
Molecular Weight433.50 g/mol
Exact Mass433.23
IUPAC Name8-[[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
SMILESCc1cc2c(C3=CCOCC3)cnc(NC3CCN(CC(F)(F)CN)CC3)c2[nH]c1=O
InChIInChI=1S/C22H29F2N5O2/c1-14-10-17-18(15-4-8-31-9-5-15)11-26-20(19(17)28-21(14)30)27-16-2-6-29(7-3-16)13-22(23,24)12-25/h4,10-11,16H,2-3,5-9,12-13,25H2,1H3,(H,26,27)(H,28,30)
InChIKeyCSLBGKLETZVQLB-UHFFFAOYSA-N
XLogP2.51
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(CC(F)(F)CN)CC3)c2[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is CSLBGKLETZVQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N5O2/c1-14-10-17-18(15-4-8-31-9-5-15)11-26-20(19(17)28-21(14)30)27-16-2-6-29(7-3-16)13-22(23,24)12-25/h4,10-11,16H,2-3,5-9,12-13,25H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 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?
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 has a molecular weight of 433.50 g/mol, XLogP of 2.51, 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-2,2-difluoropropyl)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 164627363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).