(7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one

C27H30N4O3 — CID 167684828

About (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one

(7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one (PubChem CID 167684828) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one.

Molecular Properties

• Compound Name: (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one
• PubChem CID: 167684828
• Molecular Formula: C27H30N4O3
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.23
• IUPAC Name: (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one
• SMILES: CC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)C3(CC3)[C@H](C)OC4=O)cc12
• InChI: InChI=1S/C27H30N4O3/c1-4-26(3,28)22-14-30-24(34-18-6-7-18)21-13-29-17(12-20(21)22)11-16-5-8-19-23(31-16)27(9-10-27)15(2)33-25(19)32/h5,8,12-15,18H,4,6-7,9-11,28H2,1-3H3/t15-,26-/m0/s1
• InChIKey: INARQKKJZHKSQP-HAWMADMCSA-N
• XLogP: 4.33
• TPSA: 100.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one?

The IUPAC name of (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one (CID 167684828) is (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one.

What is the SMILES notation for (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one?

The canonical SMILES for (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one is CC[C@](C)(N)c1cnc(OC2CC2)c2cnc(Cc3ccc4c(n3)C3(CC3)[C@H](C)OC4=O)cc12.

What is the InChIKey of (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one?

The InChIKey is INARQKKJZHKSQP-HAWMADMCSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-4-26(3,28)22-14-30-24(34-18-6-7-18)21-13-29-17(12-20(21)22)11-16-5-8-19-23(31-16)27(9-10-27)15(2)33-25(19)32/h5,8,12-15,18H,4,6-7,9-11,28H2,1-3H3/t15-,26-/m0/s1.

What are the key properties of (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one?

(7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one has a molecular weight of 458.56 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]methyl]-7-methylspiro[7H-pyrano[4,3-b]pyridine-8,1'-cyclopropane]-5-one is sourced from PubChem (CID 167684828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).