(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

C24H27F2N5O3 — CID 165381216

IUPAC(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESC[C@@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OCC(C)(F)F)c4cn3)nc2[C@H]1C
InChIInChI=1S/C24H27F2N5O3/c1-12-13(2)34-22(32)14-6-7-18(31-20(12)14)30-19-8-15-16(9-28-19)21(33-11-24(5,25)26)29-10-17(15)23(3,4)27/h6-10,12-13H,11,27H2,1-5H3,(H,28,30,31)/t12-,13-/m0/s1
InChIKeyFACJHZQWIXINOP-STQMWFEESA-N
MW471.51 g/mol
LogP4.66
Rot. Bonds6

About (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165381216) has the molecular formula C24H27F2N5O3 and a molecular weight of 471.51 g/mol. Its IUPAC name is (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165381216
Molecular FormulaC24H27F2N5O3
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC Name(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESC[C@@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OCC(C)(F)F)c4cn3)nc2[C@H]1C
InChIInChI=1S/C24H27F2N5O3/c1-12-13(2)34-22(32)14-6-7-18(31-20(12)14)30-19-8-15-16(9-28-19)21(33-11-24(5,25)26)29-10-17(15)23(3,4)27/h6-10,12-13H,11,27H2,1-5H3,(H,28,30,31)/t12-,13-/m0/s1
InChIKeyFACJHZQWIXINOP-STQMWFEESA-N
XLogP4.66
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The IUPAC name of (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165381216) is (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The canonical SMILES for (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is C[C@@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(OCC(C)(F)F)c4cn3)nc2[C@H]1C.
What is the InChIKey of (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is FACJHZQWIXINOP-STQMWFEESA-N. The full InChI is InChI=1S/C24H27F2N5O3/c1-12-13(2)34-22(32)14-6-7-18(31-20(12)14)30-19-8-15-16(9-28-19)21(33-11-24(5,25)26)29-10-17(15)23(3,4)27/h6-10,12-13H,11,27H2,1-5H3,(H,28,30,31)/t12-,13-/m0/s1.
What are the key properties of (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 471.51 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoropropoxy)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165381216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).