2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine

C30H27FN6O — CID 137033705

IUPAC2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCc1cc2[nH]nc(-c3cc4c(-c5ccccc5F)cncc4[nH]3)c2cc1-c1cncc(OCCN(C)C)c1
InChIInChI=1S/C30H27FN6O/c1-18-10-27-24(12-22(18)19-11-20(15-32-14-19)38-9-8-37(2)3)30(36-35-27)28-13-23-25(16-33-17-29(23)34-28)21-6-4-5-7-26(21)31/h4-7,10-17,34H,8-9H2,1-3H3,(H,35,36)
InChIKeyIUICSJVMIJUNRB-UHFFFAOYSA-N
MW506.59 g/mol
LogP6.22
Rot. Bonds7

About 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine

2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine (PubChem CID 137033705) has the molecular formula C30H27FN6O and a molecular weight of 506.59 g/mol. Its IUPAC name is 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
PubChem CID137033705
Molecular FormulaC30H27FN6O
Molecular Weight506.59 g/mol
Exact Mass506.22
IUPAC Name2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCc1cc2[nH]nc(-c3cc4c(-c5ccccc5F)cncc4[nH]3)c2cc1-c1cncc(OCCN(C)C)c1
InChIInChI=1S/C30H27FN6O/c1-18-10-27-24(12-22(18)19-11-20(15-32-14-19)38-9-8-37(2)3)30(36-35-27)28-13-23-25(16-33-17-29(23)34-28)21-6-4-5-7-26(21)31/h4-7,10-17,34H,8-9H2,1-3H3,(H,35,36)
InChIKeyIUICSJVMIJUNRB-UHFFFAOYSA-N
XLogP6.22
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.59
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine (CID 137033705) is 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine is Cc1cc2[nH]nc(-c3cc4c(-c5ccccc5F)cncc4[nH]3)c2cc1-c1cncc(OCCN(C)C)c1.
What is the InChIKey of 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
The InChIKey is IUICSJVMIJUNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O/c1-18-10-27-24(12-22(18)19-11-20(15-32-14-19)38-9-8-37(2)3)30(36-35-27)28-13-23-25(16-33-17-29(23)34-28)21-6-4-5-7-26(21)31/h4-7,10-17,34H,8-9H2,1-3H3,(H,35,36).
What are the key properties of 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine?
2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine has a molecular weight of 506.59 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 137033705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).