(7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

C26H30N4O4 — CID 167681830

IUPAC(7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCOC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)[C@H](C)[C@@H](C)OC4=O)cc12
InChIInChI=1S/C26H30N4O4/c1-14-15(2)33-25(31)19-8-5-16(30-23(14)19)9-17-10-20-21(11-28-17)24(34-18-6-7-18)29-12-22(20)26(3,27)13-32-4/h5,8,10-12,14-15,18H,6-7,9,13,27H2,1-4H3/t14-,15-,26+/m1/s1
InChIKeyUHACORZTPIBVOA-HMPCPRATSA-N
MW462.55 g/mol
LogP3.64
Rot. Bonds7

About (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

(7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 167681830) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name(7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID167681830
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name(7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCOC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)[C@H](C)[C@@H](C)OC4=O)cc12
InChIInChI=1S/C26H30N4O4/c1-14-15(2)33-25(31)19-8-5-16(30-23(14)19)9-17-10-20-21(11-28-17)24(34-18-6-7-18)29-12-22(20)26(3,27)13-32-4/h5,8,10-12,14-15,18H,6-7,9,13,27H2,1-4H3/t14-,15-,26+/m1/s1
InChIKeyUHACORZTPIBVOA-HMPCPRATSA-N
XLogP3.64
TPSA109.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(7S,8S)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 167573495
(8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one;(8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 167670168
(7S,8R)-2-[[5-(1-azido-1-cyclopropylethyl)-8-(3-methylcyclobutyl)oxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 167542651
(7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one
CID 167684828
(8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380883
(7S,8R)-2-[[5-[(2S)-2-amino-1-methoxypropan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483888
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166483938
methyl (3S)-3-[[4-(2-aminopropan-2-yl)-6-[[(7S,8R)-7,8-dimethyl-5-oxo-7,8-dihydropyrano[4,3-b]pyridin-2-yl]amino]-2,7-naphthyridin-1-yl]oxy]pyrrolidine-1-carboxylate
CID 167211395
(1S)-1-cyclopropyl-1-[6-[[(7S,8R)-7,8-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl]methyl]-1-methoxy-2,7-naphthyridin-4-yl]ethanamine
CID 167629092
(7S,8S)-2-[[5-(2-aminobutan-2-yl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166663970
(8R)-2-[[5-[(2R)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380909
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-[(1R,2S)-2-methylcyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 167211314

Frequently Asked Questions

What is the IUPAC name of (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The IUPAC name of (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 167681830) is (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The canonical SMILES for (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is COC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)[C@H](C)[C@@H](C)OC4=O)cc12.
What is the InChIKey of (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is UHACORZTPIBVOA-HMPCPRATSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-14-15(2)33-25(31)19-8-5-16(30-23(14)19)9-17-10-20-21(11-28-17)24(34-18-6-7-18)29-12-22(20)26(3,27)13-32-4/h5,8,10-12,14-15,18H,6-7,9,13,27H2,1-4H3/t14-,15-,26+/m1/s1.
What are the key properties of (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 462.55 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 167681830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).