2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid

C34H30FN5O3 — CID 130348534

About 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid (PubChem CID 130348534) has the molecular formula C34H30FN5O3 and a molecular weight of 575.64 g/mol. Its IUPAC name is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid
• PubChem CID: 130348534
• Molecular Formula: C34H30FN5O3
• Molecular Weight: 575.64 g/mol
• Exact Mass: 575.23
• IUPAC Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid
• SMILES: Cc1nc2c(cc(-c3ccc(-c4ccc5c(cnn5C)c4)nc3)n2C)c(-c2cc(F)c3c(c2C)CCCO3)c1CC(=O)O
• InChI: InChI=1S/C34H30FN5O3/c1-18-23-6-5-11-43-33(23)27(35)13-24(18)32-25(15-31(41)42)19(2)38-34-26(32)14-30(39(34)3)21-7-9-28(36-16-21)20-8-10-29-22(12-20)17-37-40(29)4/h7-10,12-14,16-17H,5-6,11,15H2,1-4H3,(H,41,42)
• InChIKey: GADUNEYSMUWFOX-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 95.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.64
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid?

The IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid (CID 130348534) is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid.

What is the SMILES notation for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid?

The canonical SMILES for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid is Cc1nc2c(cc(-c3ccc(-c4ccc5c(cnn5C)c4)nc3)n2C)c(-c2cc(F)c3c(c2C)CCCO3)c1CC(=O)O.

What is the InChIKey of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid?

The InChIKey is GADUNEYSMUWFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FN5O3/c1-18-23-6-5-11-43-33(23)27(35)13-24(18)32-25(15-31(41)42)19(2)38-34-26(32)14-30(39(34)3)21-7-9-28(36-16-21)20-8-10-29-22(12-20)17-37-40(29)4/h7-10,12-14,16-17H,5-6,11,15H2,1-4H3,(H,41,42).

What are the key properties of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid?

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid has a molecular weight of 575.64 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid is sourced from PubChem (CID 130348534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).