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

C24H21FN8O4 — CID 118323635

IUPAC1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(O)cn2)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C24H21FN8O4/c25-15-8-19(24(37)30-20-4-2-16(34)10-27-20)32(11-15)21(35)12-33-18-3-1-13(14-5-6-28-29-9-14)7-17(18)22(31-33)23(26)36/h1-7,9-10,15,19,34H,8,11-12H2,(H2,26,36)(H,27,30,37)/t15-,19+/m1/s1
InChIKeyRYWTZSJYIUWIHH-BEFAXECRSA-N
MW504.48 g/mol
LogP1.27
Rot. Bonds6

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

1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118323635) has the molecular formula C24H21FN8O4 and a molecular weight of 504.48 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118323635
Molecular FormulaC24H21FN8O4
Molecular Weight504.48 g/mol
Exact Mass504.17
IUPAC Name1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(O)cn2)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C24H21FN8O4/c25-15-8-19(24(37)30-20-4-2-16(34)10-27-20)32(11-15)21(35)12-33-18-3-1-13(14-5-6-28-29-9-14)7-17(18)22(31-33)23(26)36/h1-7,9-10,15,19,34H,8,11-12H2,(H2,26,36)(H,27,30,37)/t15-,19+/m1/s1
InChIKeyRYWTZSJYIUWIHH-BEFAXECRSA-N
XLogP1.27
TPSA169.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.48
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118323635) is 1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(O)cn2)c2ccc(-c3ccnnc3)cc12.
What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is RYWTZSJYIUWIHH-BEFAXECRSA-N. The full InChI is InChI=1S/C24H21FN8O4/c25-15-8-19(24(37)30-20-4-2-16(34)10-27-20)32(11-15)21(35)12-33-18-3-1-13(14-5-6-28-29-9-14)7-17(18)22(31-33)23(26)36/h1-7,9-10,15,19,34H,8,11-12H2,(H2,26,36)(H,27,30,37)/t15-,19+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 504.48 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-4-fluoro-2-[(5-hydroxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118323635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).