1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid

C34H36N6O5 — CID 137370661

About 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid

1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid (PubChem CID 137370661) has the molecular formula C34H36N6O5 and a molecular weight of 608.70 g/mol. Its IUPAC name is 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid
• PubChem CID: 137370661
• Molecular Formula: C34H36N6O5
• Molecular Weight: 608.70 g/mol
• Exact Mass: 608.27
• IUPAC Name: 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid
• SMILES: CCc1nc(NC2CCc3cccc(-c4cccc(-n5ncc(C(=O)O)c5OC)n4)c32)ccc1C1=CCN(C(=O)[C@H](C)O)CC1
• InChI: InChI=1S/C34H36N6O5/c1-4-26-23(21-15-17-39(18-16-21)32(42)20(2)41)12-14-29(36-26)37-28-13-11-22-7-5-8-24(31(22)28)27-9-6-10-30(38-27)40-33(45-3)25(19-35-40)34(43)44/h5-10,12,14-15,19-20,28,41H,4,11,13,16-18H2,1-3H3,(H,36,37)(H,43,44)/t20-,28?/m0/s1
• InChIKey: FWQHJRYTNJFAAM-CQHAJPFMSA-N
• XLogP: 4.69
• TPSA: 142.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.70
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid?

The IUPAC name of 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid (CID 137370661) is 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid.

What is the SMILES notation for 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid?

The canonical SMILES for 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid is CCc1nc(NC2CCc3cccc(-c4cccc(-n5ncc(C(=O)O)c5OC)n4)c32)ccc1C1=CCN(C(=O)[C@H](C)O)CC1.

What is the InChIKey of 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid?

The InChIKey is FWQHJRYTNJFAAM-CQHAJPFMSA-N. The full InChI is InChI=1S/C34H36N6O5/c1-4-26-23(21-15-17-39(18-16-21)32(42)20(2)41)12-14-29(36-26)37-28-13-11-22-7-5-8-24(31(22)28)27-9-6-10-30(38-27)40-33(45-3)25(19-35-40)34(43)44/h5-10,12,14-15,19-20,28,41H,4,11,13,16-18H2,1-3H3,(H,36,37)(H,43,44)/t20-,28?/m0/s1.

What are the key properties of 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid?

1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid has a molecular weight of 608.70 g/mol, XLogP of 4.69, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-[[6-ethyl-5-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]amino]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-methoxypyrazole-4-carboxylic acid is sourced from PubChem (CID 137370661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).