1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C28H23FN12O4 — CID 118334464

IUPAC1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCn1c(-c2nonc2NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)nc2cnccc21
InChIInChI=1S/C28H23FN12O4/c1-39-20-5-6-31-11-18(20)34-27(39)24-26(38-45-37-24)35-28(44)21-9-16(29)12-40(21)22(42)13-41-19-3-2-14(15-4-7-32-33-10-15)8-17(19)23(36-41)25(30)43/h2-8,10-11,16,21H,9,12-13H2,1H3,(H2,30,43)(H,35,38,44)
InChIKeyKIIDRHQKVDITAD-UHFFFAOYSA-N
MW610.57 g/mol
LogP1.50
Rot. Bonds7

About 1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 118334464) has the molecular formula C28H23FN12O4 and a molecular weight of 610.57 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID118334464
Molecular FormulaC28H23FN12O4
Molecular Weight610.57 g/mol
Exact Mass610.19
IUPAC Name1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCn1c(-c2nonc2NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)nc2cnccc21
InChIInChI=1S/C28H23FN12O4/c1-39-20-5-6-31-11-18(20)34-27(39)24-26(38-45-37-24)35-28(44)21-9-16(29)12-40(21)22(42)13-41-19-3-2-14(15-4-7-32-33-10-15)8-17(19)23(36-41)25(30)43/h2-8,10-11,16,21H,9,12-13H2,1H3,(H2,30,43)(H,35,38,44)
InChIKeyKIIDRHQKVDITAD-UHFFFAOYSA-N
XLogP1.50
TPSA205.73 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.57
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-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-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 118334464) is 1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cn1c(-c2nonc2NC(=O)C2CC(F)CN2C(=O)Cn2nc(C(N)=O)c3cc(-c4ccnnc4)ccc32)nc2cnccc21.
What is the InChIKey of 1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is KIIDRHQKVDITAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN12O4/c1-39-20-5-6-31-11-18(20)34-27(39)24-26(38-45-37-24)35-28(44)21-9-16(29)12-40(21)22(42)13-41-19-3-2-14(15-4-7-32-33-10-15)8-17(19)23(36-41)25(30)43/h2-8,10-11,16,21H,9,12-13H2,1H3,(H2,30,43)(H,35,38,44).
What are the key properties of 1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 610.57 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[[4-(1-methylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 118334464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).