1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide

C19H20FN5O2 — CID 58629406

IUPAC1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(N[C@H]3CCOC3)c(C(=O)Nc3ccc(F)cc3)cnc21
InChIInChI=1S/C19H20FN5O2/c1-2-25-18-15(10-22-25)17(23-14-7-8-27-11-14)16(9-21-18)19(26)24-13-5-3-12(20)4-6-13/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,21,23)(H,24,26)/t14-/m0/s1
InChIKeyONLHQJJQUAFPIX-AWEZNQCLSA-N
MW369.40 g/mol
LogP3.04
Rot. Bonds5

About 1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 58629406) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID58629406
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(N[C@H]3CCOC3)c(C(=O)Nc3ccc(F)cc3)cnc21
InChIInChI=1S/C19H20FN5O2/c1-2-25-18-15(10-22-25)17(23-14-7-8-27-11-14)16(9-21-18)19(26)24-13-5-3-12(20)4-6-13/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,21,23)(H,24,26)/t14-/m0/s1
InChIKeyONLHQJJQUAFPIX-AWEZNQCLSA-N
XLogP3.04
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 58629406) is 1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(N[C@H]3CCOC3)c(C(=O)Nc3ccc(F)cc3)cnc21.
What is the InChIKey of 1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ONLHQJJQUAFPIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-2-25-18-15(10-22-25)17(23-14-7-8-27-11-14)16(9-21-18)19(26)24-13-5-3-12(20)4-6-13/h3-6,9-10,14H,2,7-8,11H2,1H3,(H,21,23)(H,24,26)/t14-/m0/s1.
What are the key properties of 1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-fluorophenyl)-4-[[(3S)-oxolan-3-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 58629406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).