2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one

C26H30N6O2 — CID 165381212

IUPAC2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
SMILESCC1(C)Cc2nc(Nc3cc4c([C@](C)(N)C5CC5)cnc(OC5CC5)c4cn3)ccc2C(=O)N1
InChIInChI=1S/C26H30N6O2/c1-25(2)11-20-16(23(33)32-25)8-9-21(30-20)31-22-10-17-18(12-28-22)24(34-15-6-7-15)29-13-19(17)26(3,27)14-4-5-14/h8-10,12-15H,4-7,11,27H2,1-3H3,(H,32,33)(H,28,30,31)/t26-/m1/s1
InChIKeyWRPRMLHEOBWZDD-AREMUKBSSA-N
MW458.57 g/mol
LogP3.96
Rot. Bonds6

About 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one

2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 165381212) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
PubChem CID165381212
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
SMILESCC1(C)Cc2nc(Nc3cc4c([C@](C)(N)C5CC5)cnc(OC5CC5)c4cn3)ccc2C(=O)N1
InChIInChI=1S/C26H30N6O2/c1-25(2)11-20-16(23(33)32-25)8-9-21(30-20)31-22-10-17-18(12-28-22)24(34-15-6-7-15)29-13-19(17)26(3,27)14-4-5-14/h8-10,12-15H,4-7,11,27H2,1-3H3,(H,32,33)(H,28,30,31)/t26-/m1/s1
InChIKeyWRPRMLHEOBWZDD-AREMUKBSSA-N
XLogP3.96
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one (CID 165381212) is 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one is CC1(C)Cc2nc(Nc3cc4c([C@](C)(N)C5CC5)cnc(OC5CC5)c4cn3)ccc2C(=O)N1.
What is the InChIKey of 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is WRPRMLHEOBWZDD-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-25(2)11-20-16(23(33)32-25)8-9-21(30-20)31-22-10-17-18(12-28-22)24(34-15-6-7-15)29-13-19(17)26(3,27)14-4-5-14/h8-10,12-15H,4-7,11,27H2,1-3H3,(H,32,33)(H,28,30,31)/t26-/m1/s1.
What are the key properties of 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one?
2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 458.57 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 165381212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).