2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

C16H11FN4O2 — CID 136953123

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCn1nc(-c2cc3nccc(C(=O)O)c3[nH]2)c2ccc(F)cc21
InChIInChI=1S/C16H11FN4O2/c1-21-13-6-8(17)2-3-9(13)15(20-21)12-7-11-14(19-12)10(16(22)23)4-5-18-11/h2-7,19H,1H3,(H,22,23)
InChIKeyRDQLNICRVWZWBF-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.95
Rot. Bonds2

About 2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 136953123) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID136953123
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCn1nc(-c2cc3nccc(C(=O)O)c3[nH]2)c2ccc(F)cc21
InChIInChI=1S/C16H11FN4O2/c1-21-13-6-8(17)2-3-9(13)15(20-21)12-7-11-14(19-12)10(16(22)23)4-5-18-11/h2-7,19H,1H3,(H,22,23)
InChIKeyRDQLNICRVWZWBF-UHFFFAOYSA-N
XLogP2.95
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-Cyclopentyl-5-fluoroindazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282772
5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid
CID 3833115
9H-pyrido(3,4-b)indole-1-carboxylic acid
CID 15573079
1-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]pyrazole-3-carboxylic acid
CID 166632811
3-[(1-Acetylindole-3-carbonyl)amino]-5-(1-methylindazol-5-yl)benzoic acid
CID 141736374
US8785489, 4-[({[1-methyl-5-(2-pyridin-4-yl-1H-indol-5-yl)-1H-pyrazol-3-yl]carbonyl}amino)methyl]benzoic acid
CID 45376868
3-[(5-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282049
3-[(4-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282291
US10040779, Example 15
CID 76282293
US10040779, Example 18
CID 76282526
US10040779, Example 19
CID 76282527
US10040779, Example 20
CID 76282528

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 136953123) is 2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is Cn1nc(-c2cc3nccc(C(=O)O)c3[nH]2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is RDQLNICRVWZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c1-21-13-6-8(17)2-3-9(13)15(20-21)12-7-11-14(19-12)10(16(22)23)4-5-18-11/h2-7,19H,1H3,(H,22,23).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 310.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 136953123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).