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

C25H29N5O3 — CID 165380821

IUPAC(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCC[C@@](C)(N)c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C25H29N5O3/c1-5-25(4,26)19-12-28-23(33-15-6-7-15)18-11-27-21(10-17(18)19)29-20-9-8-16-22(30-20)13(2)14(3)32-24(16)31/h8-15H,5-7,26H2,1-4H3,(H,27,29,30)/t13-,14-,25+/m0/s1
InChIKeyFENQEIWQYPNVDO-KXTXEXGHSA-N
MW447.54 g/mol
LogP4.56
Rot. Bonds6

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

(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165380821) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-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-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165380821
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCC[C@@](C)(N)c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C25H29N5O3/c1-5-25(4,26)19-12-28-23(33-15-6-7-15)18-11-27-21(10-17(18)19)29-20-9-8-16-22(30-20)13(2)14(3)32-24(16)31/h8-15H,5-7,26H2,1-4H3,(H,27,29,30)/t13-,14-,25+/m0/s1
InChIKeyFENQEIWQYPNVDO-KXTXEXGHSA-N
XLogP4.56
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-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-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-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-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165380821) is (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-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-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-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-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is CC[C@@](C)(N)c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12.
What is the InChIKey of (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is FENQEIWQYPNVDO-KXTXEXGHSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-5-25(4,26)19-12-28-23(33-15-6-7-15)18-11-27-21(10-17(18)19)29-20-9-8-16-22(30-20)13(2)14(3)32-24(16)31/h8-15H,5-7,26H2,1-4H3,(H,27,29,30)/t13-,14-,25+/m0/s1.
What are the key properties of (7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7S,8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 447.54 g/mol, XLogP of 4.56, 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-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).