3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine

C18H18FN7O — CID 25116189

IUPAC3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine
SMILESCCOc1cc(-n2cnc3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C18H18FN7O/c1-3-27-17-8-16(24-25-17)26-10-21-14-6-7-15(23-18(14)26)22-11(2)13-5-4-12(19)9-20-13/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25)/t11-/m0/s1
InChIKeyTUGCCAPRWDWOQI-NSHDSACASA-N
MW367.39 g/mol
LogP3.25
Rot. Bonds6

About 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine

3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine (PubChem CID 25116189) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine
PubChem CID25116189
Molecular FormulaC18H18FN7O
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine
SMILESCCOc1cc(-n2cnc3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C18H18FN7O/c1-3-27-17-8-16(24-25-17)26-10-21-14-6-7-15(23-18(14)26)22-11(2)13-5-4-12(19)9-20-13/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25)/t11-/m0/s1
InChIKeyTUGCCAPRWDWOQI-NSHDSACASA-N
XLogP3.25
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine (CID 25116189) is 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine is CCOc1cc(-n2cnc3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1.
What is the InChIKey of 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The InChIKey is TUGCCAPRWDWOQI-NSHDSACASA-N. The full InChI is InChI=1S/C18H18FN7O/c1-3-27-17-8-16(24-25-17)26-10-21-14-6-7-15(23-18(14)26)22-11(2)13-5-4-12(19)9-20-13/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25)/t11-/m0/s1.
What are the key properties of 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine?
3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine has a molecular weight of 367.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 25116189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).