1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C31H25FN10O3 — CID 118334356

IUPAC1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cccc3c(-c4ccccn4)[nH]nc23)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C31H25FN10O3/c32-19-13-25(31(45)37-23-6-3-4-20-27(38-39-28(20)23)22-5-1-2-10-34-22)41(15-19)26(43)16-42-24-8-7-17(18-9-11-35-36-14-18)12-21(24)29(40-42)30(33)44/h1-12,14,19,25H,13,15-16H2,(H2,33,44)(H,37,45)(H,38,39)
InChIKeyOFODCQJOUDBVGJ-UHFFFAOYSA-N
MW604.61 g/mol
LogP3.11
Rot. Bonds7

About 1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334356) has the molecular formula C31H25FN10O3 and a molecular weight of 604.61 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334356
Molecular FormulaC31H25FN10O3
Molecular Weight604.61 g/mol
Exact Mass604.21
IUPAC Name1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cccc3c(-c4ccccn4)[nH]nc23)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C31H25FN10O3/c32-19-13-25(31(45)37-23-6-3-4-20-27(38-39-28(20)23)22-5-1-2-10-34-22)41(15-19)26(43)16-42-24-8-7-17(18-9-11-35-36-14-18)12-21(24)29(40-42)30(33)44/h1-12,14,19,25H,13,15-16H2,(H2,33,44)(H,37,45)(H,38,39)
InChIKeyOFODCQJOUDBVGJ-UHFFFAOYSA-N
XLogP3.11
TPSA177.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.61
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334356) is 1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cccc3c(-c4ccccn4)[nH]nc23)c2ccc(-c3ccnnc3)cc12.
What is the InChIKey of 1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is OFODCQJOUDBVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN10O3/c32-19-13-25(31(45)37-23-6-3-4-20-27(38-39-28(20)23)22-5-1-2-10-34-22)41(15-19)26(43)16-42-24-8-7-17(18-9-11-35-36-14-18)12-21(24)29(40-42)30(33)44/h1-12,14,19,25H,13,15-16H2,(H2,33,44)(H,37,45)(H,38,39).
What are the key properties of 1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 604.61 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[(3-pyridin-2-yl-2H-indazol-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).