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

C25H28FN5O3 — CID 165381130

IUPAC(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-fluorocyclobutyl)oxy-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(OC5CC(F)C5)c4cn3)nc2[C@H]1C
InChIInChI=1S/C25H28FN5O3/c1-12-13(2)33-24(32)16-5-6-20(31-22(12)16)30-21-9-17-18(10-28-21)23(34-15-7-14(26)8-15)29-11-19(17)25(3,4)27/h5-6,9-15H,7-8,27H2,1-4H3,(H,28,30,31)/t12-,13-,14?,15?/m0/s1
InChIKeyLDWHTTFAKXSJDS-HESLUPGFSA-N
MW465.53 g/mol
LogP4.50
Rot. Bonds5

About (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-fluorocyclobutyl)oxy-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-(3-fluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165381130) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-fluorocyclobutyl)oxy-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-(3-fluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165381130
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-fluorocyclobutyl)oxy-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(OC5CC(F)C5)c4cn3)nc2[C@H]1C
InChIInChI=1S/C25H28FN5O3/c1-12-13(2)33-24(32)16-5-6-20(31-22(12)16)30-21-9-17-18(10-28-21)23(34-15-7-14(26)8-15)29-11-19(17)25(3,4)27/h5-6,9-15H,7-8,27H2,1-4H3,(H,28,30,31)/t12-,13-,14?,15?/m0/s1
InChIKeyLDWHTTFAKXSJDS-HESLUPGFSA-N
XLogP4.50
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-fluorocyclobutyl)oxy-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-(3-fluorocyclobutyl)oxy-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-(3-fluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165381130) is (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-fluorocyclobutyl)oxy-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-(3-fluorocyclobutyl)oxy-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-(3-fluorocyclobutyl)oxy-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(OC5CC(F)C5)c4cn3)nc2[C@H]1C.
What is the InChIKey of (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-fluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is LDWHTTFAKXSJDS-HESLUPGFSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-12-13(2)33-24(32)16-5-6-20(31-22(12)16)30-21-9-17-18(10-28-21)23(34-15-7-14(26)8-15)29-11-19(17)25(3,4)27/h5-6,9-15H,7-8,27H2,1-4H3,(H,28,30,31)/t12-,13-,14?,15?/m0/s1.
What are the key properties of (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3-fluorocyclobutyl)oxy-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-(3-fluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 465.53 g/mol, XLogP of 4.50, 5 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-(3-fluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165381130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).