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

C25H30N6O2 — CID 165380816

IUPAC(7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCC[C@](C)(N)c1cnc(NC2CC2)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C25H30N6O2/c1-5-25(4,26)19-12-28-23(29-15-6-7-15)18-11-27-21(10-17(18)19)30-20-9-8-16-22(31-20)13(2)14(3)33-24(16)32/h8-15H,5-7,26H2,1-4H3,(H,28,29)(H,27,30,31)/t13-,14-,25-/m0/s1
InChIKeyNPZTYTWCQZSAPH-DZWULXIXSA-N
MW446.56 g/mol
LogP4.59
Rot. Bonds6

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

(7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165380816) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is (7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-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-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165380816
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name(7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
SMILESCC[C@](C)(N)c1cnc(NC2CC2)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12
InChIInChI=1S/C25H30N6O2/c1-5-25(4,26)19-12-28-23(29-15-6-7-15)18-11-27-21(10-17(18)19)30-20-9-8-16-22(31-20)13(2)14(3)33-24(16)32/h8-15H,5-7,26H2,1-4H3,(H,28,29)(H,27,30,31)/t13-,14-,25-/m0/s1
InChIKeyNPZTYTWCQZSAPH-DZWULXIXSA-N
XLogP4.59
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

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CID 165381035
CID 165381035
CID 165381130
CID 165381130
CID 165381166
CID 165381166
CID 165381216
CID 165381216
CID 156013079
CID 156013079
CID 156018983
CID 156018983
CID 156019572
CID 156019572

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-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-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165380816) is (7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-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-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-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-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is CC[C@](C)(N)c1cnc(NC2CC2)c2cnc(Nc3ccc4c(n3)[C@@H](C)[C@H](C)OC4=O)cc12.
What is the InChIKey of (7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is NPZTYTWCQZSAPH-DZWULXIXSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-5-25(4,26)19-12-28-23(29-15-6-7-15)18-11-27-21(10-17(18)19)30-20-9-8-16-22(31-20)13(2)14(3)33-24(16)32/h8-15H,5-7,26H2,1-4H3,(H,28,29)(H,27,30,31)/t13-,14-,25-/m0/s1.
What are the key properties of (7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 446.56 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165380816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).