2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C29H29FN8O2S — CID 155412857

IUPAC2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(-c2ccc(N3CCOCC3)nc2)c(C)c2nn(C(C(=O)Nc3nccs3)c3ncn4c3CC(F)C4)cc12
InChIInChI=1S/C29H29FN8O2S/c1-17-11-21(19-3-4-24(32-13-19)36-6-8-40-9-7-36)18(2)25-22(17)15-38(35-25)27(28(39)34-29-31-5-10-41-29)26-23-12-20(30)14-37(23)16-33-26/h3-5,10-11,13,15-16,20,27H,6-9,12,14H2,1-2H3,(H,31,34,39)
InChIKeyWOZQRQPMYHMHIF-UHFFFAOYSA-N
MW572.67 g/mol
LogP4.33
Rot. Bonds6

About 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155412857) has the molecular formula C29H29FN8O2S and a molecular weight of 572.67 g/mol. Its IUPAC name is 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID155412857
Molecular FormulaC29H29FN8O2S
Molecular Weight572.67 g/mol
Exact Mass572.21
IUPAC Name2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(-c2ccc(N3CCOCC3)nc2)c(C)c2nn(C(C(=O)Nc3nccs3)c3ncn4c3CC(F)C4)cc12
InChIInChI=1S/C29H29FN8O2S/c1-17-11-21(19-3-4-24(32-13-19)36-6-8-40-9-7-36)18(2)25-22(17)15-38(35-25)27(28(39)34-29-31-5-10-41-29)26-23-12-20(30)14-37(23)16-33-26/h3-5,10-11,13,15-16,20,27H,6-9,12,14H2,1-2H3,(H,31,34,39)
InChIKeyWOZQRQPMYHMHIF-UHFFFAOYSA-N
XLogP4.33
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.67
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 155412857) is 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is Cc1cc(-c2ccc(N3CCOCC3)nc2)c(C)c2nn(C(C(=O)Nc3nccs3)c3ncn4c3CC(F)C4)cc12.
What is the InChIKey of 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WOZQRQPMYHMHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN8O2S/c1-17-11-21(19-3-4-24(32-13-19)36-6-8-40-9-7-36)18(2)25-22(17)15-38(35-25)27(28(39)34-29-31-5-10-41-29)26-23-12-20(30)14-37(23)16-33-26/h3-5,10-11,13,15-16,20,27H,6-9,12,14H2,1-2H3,(H,31,34,39).
What are the key properties of 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 572.67 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,7-dimethyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155412857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).