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

C25H27F2N5O3 — CID 165380929

IUPAC(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3,3-difluorocyclobutyl)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)(F)C5)c4cn3)nc2[C@H]1C
InChIInChI=1S/C25H27F2N5O3/c1-12-13(2)34-23(33)15-5-6-19(32-21(12)15)31-20-7-16-17(10-29-20)22(30-11-18(16)24(3,4)28)35-14-8-25(26,27)9-14/h5-7,10-14H,8-9,28H2,1-4H3,(H,29,31,32)/t12-,13-/m0/s1
InChIKeyUURIXZJABQJMLG-STQMWFEESA-N
MW483.52 g/mol
LogP4.80
Rot. Bonds5

About (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3,3-difluorocyclobutyl)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-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165380929) has the molecular formula C25H27F2N5O3 and a molecular weight of 483.52 g/mol. Its IUPAC name is (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3,3-difluorocyclobutyl)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-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165380929
Molecular FormulaC25H27F2N5O3
Molecular Weight483.52 g/mol
Exact Mass483.21
IUPAC Name(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3,3-difluorocyclobutyl)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)(F)C5)c4cn3)nc2[C@H]1C
InChIInChI=1S/C25H27F2N5O3/c1-12-13(2)34-23(33)15-5-6-19(32-21(12)15)31-20-7-16-17(10-29-20)22(30-11-18(16)24(3,4)28)35-14-8-25(26,27)9-14/h5-7,10-14H,8-9,28H2,1-4H3,(H,29,31,32)/t12-,13-/m0/s1
InChIKeyUURIXZJABQJMLG-STQMWFEESA-N
XLogP4.80
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3,3-difluorocyclobutyl)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-(3,3-difluorocyclobutyl)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-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165380929) is (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3,3-difluorocyclobutyl)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-(3,3-difluorocyclobutyl)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-(3,3-difluorocyclobutyl)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)(F)C5)c4cn3)nc2[C@H]1C.
What is the InChIKey of (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is UURIXZJABQJMLG-STQMWFEESA-N. The full InChI is InChI=1S/C25H27F2N5O3/c1-12-13(2)34-23(33)15-5-6-19(32-21(12)15)31-20-7-16-17(10-29-20)22(30-11-18(16)24(3,4)28)35-14-8-25(26,27)9-14/h5-7,10-14H,8-9,28H2,1-4H3,(H,29,31,32)/t12-,13-/m0/s1.
What are the key properties of (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(3,3-difluorocyclobutyl)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-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 483.52 g/mol, XLogP of 4.80, 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-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).