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

C26H30N6O2 — CID 165380833

IUPAC(7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-(cyclopropylamino)-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)(N)C5CC5)cnc(NC5CC5)c4cn3)nc2[C@H]1C
InChIInChI=1S/C26H30N6O2/c1-13-14(2)34-25(33)17-8-9-21(32-23(13)17)31-22-10-18-19(11-28-22)24(30-16-6-7-16)29-12-20(18)26(3,27)15-4-5-15/h8-16H,4-7,27H2,1-3H3,(H,29,30)(H,28,31,32)/t13-,14-,26+/m0/s1
InChIKeyTYYJPOYXPUOKHL-AOTXYTFASA-N
MW458.57 g/mol
LogP4.59
Rot. Bonds6

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

(7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165380833) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is (7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-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-[(1R)-1-amino-1-cyclopropylethyl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
PubChem CID165380833
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name(7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-(cyclopropylamino)-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)(N)C5CC5)cnc(NC5CC5)c4cn3)nc2[C@H]1C
InChIInChI=1S/C26H30N6O2/c1-13-14(2)34-25(33)17-8-9-21(32-23(13)17)31-22-10-18-19(11-28-22)24(30-16-6-7-16)29-12-20(18)26(3,27)15-4-5-15/h8-16H,4-7,27H2,1-3H3,(H,29,30)(H,28,31,32)/t13-,14-,26+/m0/s1
InChIKeyTYYJPOYXPUOKHL-AOTXYTFASA-N
XLogP4.59
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-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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Frequently Asked Questions

What is the IUPAC name of (7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-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-[(1R)-1-amino-1-cyclopropylethyl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165380833) is (7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-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-[(1R)-1-amino-1-cyclopropylethyl]-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-[(1R)-1-amino-1-cyclopropylethyl]-8-(cyclopropylamino)-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)(N)C5CC5)cnc(NC5CC5)c4cn3)nc2[C@H]1C.
What is the InChIKey of (7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
The InChIKey is TYYJPOYXPUOKHL-AOTXYTFASA-N. The full InChI is InChI=1S/C26H30N6O2/c1-13-14(2)34-25(33)17-8-9-21(32-23(13)17)31-22-10-18-19(11-28-22)24(30-16-6-7-16)29-12-20(18)26(3,27)15-4-5-15/h8-16H,4-7,27H2,1-3H3,(H,29,30)(H,28,31,32)/t13-,14-,26+/m0/s1.
What are the key properties of (7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?
(7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-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 458.57 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-[(1R)-1-amino-1-cyclopropylethyl]-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 165380833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).