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

C25H29N5O4 — CID 165381119

IUPAC(7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCOC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)[C@H](C)[C@@H](C)OC4=O)cc12
InChIInChI=1S/C25H29N5O4/c1-13-14(2)33-24(31)16-7-8-20(30-22(13)16)29-21-9-17-18(10-27-21)23(34-15-5-6-15)28-11-19(17)25(3,26)12-32-4/h7-11,13-15H,5-6,12,26H2,1-4H3,(H,27,29,30)/t13-,14-,25+/m1/s1
InChIKeyMLIWINRNGRTVIS-IEBYYPBYSA-N
MW463.54 g/mol
LogP3.79
Rot. Bonds7

About (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-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]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165381119) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-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(7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165381119
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name(7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCOC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)[C@H](C)[C@@H](C)OC4=O)cc12
InChIInChI=1S/C25H29N5O4/c1-13-14(2)33-24(31)16-7-8-20(30-22(13)16)29-21-9-17-18(10-27-21)23(34-15-5-6-15)28-11-19(17)25(3,26)12-32-4/h7-11,13-15H,5-6,12,26H2,1-4H3,(H,27,29,30)/t13-,14-,25+/m1/s1
InChIKeyMLIWINRNGRTVIS-IEBYYPBYSA-N
XLogP3.79
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-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 (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-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 (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165381119) is (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-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 (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-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 (7R,8S)-2-[[5-[(2R)-2-amino-1-methoxypropan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is COC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Nc3ccc4c(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]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is MLIWINRNGRTVIS-IEBYYPBYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-13-14(2)33-24(31)16-7-8-20(30-22(13)16)29-21-9-17-18(10-27-21)23(34-15-5-6-15)28-11-19(17)25(3,26)12-32-4/h7-11,13-15H,5-6,12,26H2,1-4H3,(H,27,29,30)/t13-,14-,25+/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]amino]-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]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 463.54 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165381119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).