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

C24H26N6O2 — CID 165381133

IUPAC2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESC[C@](N)(c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)CCNC4=O)cc12)C1CC1
InChIInChI=1S/C24H26N6O2/c1-24(25,13-2-3-13)18-12-28-23(32-14-4-5-14)17-11-27-21(10-16(17)18)30-20-7-6-15-19(29-20)8-9-26-22(15)31/h6-7,10-14H,2-5,8-9,25H2,1H3,(H,26,31)(H,27,29,30)/t24-/m1/s1
InChIKeyFNAVJEFOGSISME-XMMPIXPASA-N
MW430.51 g/mol
LogP3.18
Rot. Bonds6

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

2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 165381133) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID165381133
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESC[C@](N)(c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)CCNC4=O)cc12)C1CC1
InChIInChI=1S/C24H26N6O2/c1-24(25,13-2-3-13)18-12-28-23(32-14-4-5-14)17-11-27-21(10-16(17)18)30-20-7-6-15-19(29-20)8-9-26-22(15)31/h6-7,10-14H,2-5,8-9,25H2,1H3,(H,26,31)(H,27,29,30)/t24-/m1/s1
InChIKeyFNAVJEFOGSISME-XMMPIXPASA-N
XLogP3.18
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-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]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 165381133) is 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-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]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one is C[C@](N)(c1cnc(OC2CC2)c2cnc(Nc3ccc4c(n3)CCNC4=O)cc12)C1CC1.
What is the InChIKey of 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is FNAVJEFOGSISME-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N6O2/c1-24(25,13-2-3-13)18-12-28-23(32-14-4-5-14)17-11-27-21(10-16(17)18)30-20-7-6-15-19(29-20)8-9-26-22(15)31/h6-7,10-14H,2-5,8-9,25H2,1H3,(H,26,31)(H,27,29,30)/t24-/m1/s1.
What are the key properties of 2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 430.51 g/mol, XLogP of 3.18, 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]-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 165381133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).