1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C29H25FN10O3S — CID 134222569

IUPAC1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1nc2n(c1-c1csc(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)n1)C=CC2
InChIInChI=1S/C29H25FN10O3S/c1-15-26(38-8-2-3-23(38)34-15)20-14-44-29(35-20)36-28(43)22-10-18(30)12-39(22)24(41)13-40-21-5-4-16(17-6-7-32-33-11-17)9-19(21)25(37-40)27(31)42/h2,4-9,11,14,18,22H,3,10,12-13H2,1H3,(H2,31,42)(H,35,36,43)
InChIKeyKVPFFPSPPROWPH-UHFFFAOYSA-N
MW612.65 g/mol
LogP2.83
Rot. Bonds7

About 1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 134222569) has the molecular formula C29H25FN10O3S and a molecular weight of 612.65 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID134222569
Molecular FormulaC29H25FN10O3S
Molecular Weight612.65 g/mol
Exact Mass612.18
IUPAC Name1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESCc1nc2n(c1-c1csc(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)n1)C=CC2
InChIInChI=1S/C29H25FN10O3S/c1-15-26(38-8-2-3-23(38)34-15)20-14-44-29(35-20)36-28(43)22-10-18(30)12-39(22)24(41)13-40-21-5-4-16(17-6-7-32-33-11-17)9-19(21)25(37-40)27(31)42/h2,4-9,11,14,18,22H,3,10,12-13H2,1H3,(H2,31,42)(H,35,36,43)
InChIKeyKVPFFPSPPROWPH-UHFFFAOYSA-N
XLogP2.83
TPSA166.81 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.65
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-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-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 134222569) is 1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-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-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is Cc1nc2n(c1-c1csc(NC(=O)C3CC(F)CN3C(=O)Cn3nc(C(N)=O)c4cc(-c5ccnnc5)ccc43)n1)C=CC2.
What is the InChIKey of 1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is KVPFFPSPPROWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN10O3S/c1-15-26(38-8-2-3-23(38)34-15)20-14-44-29(35-20)36-28(43)22-10-18(30)12-39(22)24(41)13-40-21-5-4-16(17-6-7-32-33-11-17)9-19(21)25(37-40)27(31)42/h2,4-9,11,14,18,22H,3,10,12-13H2,1H3,(H2,31,42)(H,35,36,43).
What are the key properties of 1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 612.65 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[[4-(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 134222569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).