(5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

C38H43N9O3 — CID 155671766

About (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 155671766) has the molecular formula C38H43N9O3 and a molecular weight of 673.82 g/mol. Its IUPAC name is (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 155671766
• Molecular Formula: C38H43N9O3
• Molecular Weight: 673.82 g/mol
• Exact Mass: 673.35
• IUPAC Name: (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(C[C@H](O)N6CC=C(c7ccc(-c8ncn(C)n8)cc7)CC6)C5)C4=O)cc23)cn1
• InChI: InChI=1S/C38H43N9O3/c1-25(2)50-33-11-8-29(21-39-33)35-31-20-30(9-10-32(31)41-42-35)47-19-15-38(37(47)49)14-18-45(23-38)22-34(48)46-16-12-27(13-17-46)26-4-6-28(7-5-26)36-40-24-44(3)43-36/h4-12,20-21,24-25,34,48H,13-19,22-23H2,1-3H3,(H,41,42)/t34-,38-/m0/s1
• InChIKey: XEAZGAMRRBLFHA-UVNLRBHVSA-N
• XLogP: 4.74
• TPSA: 128.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	673.82
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 155671766) is (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(C[C@H](O)N6CC=C(c7ccc(-c8ncn(C)n8)cc7)CC6)C5)C4=O)cc23)cn1.

What is the InChIKey of (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is XEAZGAMRRBLFHA-UVNLRBHVSA-N. The full InChI is InChI=1S/C38H43N9O3/c1-25(2)50-33-11-8-29(21-39-33)35-31-20-30(9-10-32(31)41-42-35)47-19-15-38(37(47)49)14-18-45(23-38)22-34(48)46-16-12-27(13-17-46)26-4-6-28(7-5-26)36-40-24-44(3)43-36/h4-12,20-21,24-25,34,48H,13-19,22-23H2,1-3H3,(H,41,42)/t34-,38-/m0/s1.

What are the key properties of (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?

(5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 673.82 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 155671766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).