1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C33H30FN9O3 — CID 118334402

IUPAC1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1cccnc1N1Cc2cccc(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)c2C1
InChIInChI=1S/C33H30FN9O3/c1-19-4-3-10-36-32(19)41-15-22-5-2-6-26(25(22)17-41)39-33(46)28-13-23(34)16-42(28)29(44)18-43-27-8-7-20(21-9-11-37-38-14-21)12-24(27)30(40-43)31(35)45/h2-12,14,23,28H,13,15-18H2,1H3,(H2,35,45)(H,39,46)
InChIKeyFCHHRFPMESWFFN-UHFFFAOYSA-N
MW619.66 g/mol
LogP3.39
Rot. Bonds7

About 1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334402) has the molecular formula C33H30FN9O3 and a molecular weight of 619.66 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334402
Molecular FormulaC33H30FN9O3
Molecular Weight619.66 g/mol
Exact Mass619.25
IUPAC Name1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1cccnc1N1Cc2cccc(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)c2C1
InChIInChI=1S/C33H30FN9O3/c1-19-4-3-10-36-32(19)41-15-22-5-2-6-26(25(22)17-41)39-33(46)28-13-23(34)16-42(28)29(44)18-43-27-8-7-20(21-9-11-37-38-14-21)12-24(27)30(40-43)31(35)45/h2-12,14,23,28H,13,15-18H2,1H3,(H2,35,45)(H,39,46)
InChIKeyFCHHRFPMESWFFN-UHFFFAOYSA-N
XLogP3.39
TPSA152.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.66
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-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-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334402) is 1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1cccnc1N1Cc2cccc(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)c2C1.
What is the InChIKey of 1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is FCHHRFPMESWFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN9O3/c1-19-4-3-10-36-32(19)41-15-22-5-2-6-26(25(22)17-41)39-33(46)28-13-23(34)16-42(28)29(44)18-43-27-8-7-20(21-9-11-37-38-14-21)12-24(27)30(40-43)31(35)45/h2-12,14,23,28H,13,15-18H2,1H3,(H2,35,45)(H,39,46).
What are the key properties of 1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 619.66 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[[2-(3-methyl-2-pyridinyl)-1,3-dihydroisoindol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).