4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide

C19H17FN4O2 — CID 73426736

IUPAC4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCO)ccc1-n1c2ccc(F)cc2c2[nH]ncc21
InChIInChI=1S/C19H17FN4O2/c1-11-8-12(19(26)21-6-7-25)2-4-15(11)24-16-5-3-13(20)9-14(16)18-17(24)10-22-23-18/h2-5,8-10,25H,6-7H2,1H3,(H,21,26)(H,22,23)
InChIKeyOTERKSQZXOAQLU-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.68
Rot. Bonds4

About 4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide

4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide (PubChem CID 73426736) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide
PubChem CID73426736
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCO)ccc1-n1c2ccc(F)cc2c2[nH]ncc21
InChIInChI=1S/C19H17FN4O2/c1-11-8-12(19(26)21-6-7-25)2-4-15(11)24-16-5-3-13(20)9-14(16)18-17(24)10-22-23-18/h2-5,8-10,25H,6-7H2,1H3,(H,21,26)(H,22,23)
InChIKeyOTERKSQZXOAQLU-UHFFFAOYSA-N
XLogP2.68
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide?
The IUPAC name of 4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide (CID 73426736) is 4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide.
What is the SMILES notation for 4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide?
The canonical SMILES for 4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide is Cc1cc(C(=O)NCCO)ccc1-n1c2ccc(F)cc2c2[nH]ncc21.
What is the InChIKey of 4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide?
The InChIKey is OTERKSQZXOAQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-11-8-12(19(26)21-6-7-25)2-4-15(11)24-16-5-3-13(20)9-14(16)18-17(24)10-22-23-18/h2-5,8-10,25H,6-7H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide?
4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide has a molecular weight of 352.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1H-pyrazolo[4,5-b]indol-4-yl)-N-(2-hydroxyethyl)-3-methylbenzamide is sourced from PubChem (CID 73426736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).