3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine

C20H19FN6 — CID 69174008

IUPAC3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine
SMILESCC(Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN6/c1-12(13-4-6-15(21)7-5-13)23-18-9-8-16-20(24-18)27(11-22-16)19-10-17(25-26-19)14-2-3-14/h4-12,14H,2-3H2,1H3,(H,23,24)(H,25,26)
InChIKeyOKBPWLMFBQEIMC-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.33
Rot. Bonds5

About 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine

3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine (PubChem CID 69174008) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine
PubChem CID69174008
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine
SMILESCC(Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN6/c1-12(13-4-6-15(21)7-5-13)23-18-9-8-16-20(24-18)27(11-22-16)19-10-17(25-26-19)14-2-3-14/h4-12,14H,2-3H2,1H3,(H,23,24)(H,25,26)
InChIKeyOKBPWLMFBQEIMC-UHFFFAOYSA-N
XLogP4.33
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine (CID 69174008) is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine is CC(Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1.
What is the InChIKey of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The InChIKey is OKBPWLMFBQEIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-12(13-4-6-15(21)7-5-13)23-18-9-8-16-20(24-18)27(11-22-16)19-10-17(25-26-19)14-2-3-14/h4-12,14H,2-3H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine?
3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine has a molecular weight of 362.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 69174008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).