1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C34H37FN8O3 — CID 134222237

IUPAC1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)C2CC(F)CC2C(=O)Nc2ccnc(N3CCCC4CCCCC43)c2)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C34H37FN8O3/c35-23-15-25(30(44)19-43-29-8-7-21(22-9-12-38-39-18-22)14-27(29)32(41-43)33(36)45)26(16-23)34(46)40-24-10-11-37-31(17-24)42-13-3-5-20-4-1-2-6-28(20)42/h7-12,14,17-18,20,23,25-26,28H,1-6,13,15-16,19H2,(H2,36,45)(H,37,40,46)
InChIKeyBCCLXAKPQQGYCN-UHFFFAOYSA-N
MW624.72 g/mol
LogP4.72
Rot. Bonds8

About 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 134222237) has the molecular formula C34H37FN8O3 and a molecular weight of 624.72 g/mol. Its IUPAC name is 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID134222237
Molecular FormulaC34H37FN8O3
Molecular Weight624.72 g/mol
Exact Mass624.30
IUPAC Name1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)C2CC(F)CC2C(=O)Nc2ccnc(N3CCCC4CCCCC43)c2)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C34H37FN8O3/c35-23-15-25(30(44)19-43-29-8-7-21(22-9-12-38-39-18-22)14-27(29)32(41-43)33(36)45)26(16-23)34(46)40-24-10-11-37-31(17-24)42-13-3-5-20-4-1-2-6-28(20)42/h7-12,14,17-18,20,23,25-26,28H,1-6,13,15-16,19H2,(H2,36,45)(H,37,40,46)
InChIKeyBCCLXAKPQQGYCN-UHFFFAOYSA-N
XLogP4.72
TPSA148.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.72
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 134222237) is 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)C2CC(F)CC2C(=O)Nc2ccnc(N3CCCC4CCCCC43)c2)c2ccc(-c3ccnnc3)cc12.
What is the InChIKey of 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is BCCLXAKPQQGYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN8O3/c35-23-15-25(30(44)19-43-29-8-7-21(22-9-12-38-39-18-22)14-27(29)32(41-43)33(36)45)26(16-23)34(46)40-24-10-11-37-31(17-24)42-13-3-5-20-4-1-2-6-28(20)42/h7-12,14,17-18,20,23,25-26,28H,1-6,13,15-16,19H2,(H2,36,45)(H,37,40,46).
What are the key properties of 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 624.72 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-pyridinyl]carbamoyl]-4-fluorocyclopentyl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 134222237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).