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

C17H17FN8O — CID 25116188

IUPAC3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine
SMILESCCOc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C17H17FN8O/c1-3-27-15-6-14(24-25-15)26-9-21-12-4-5-13(23-17(12)26)22-10(2)16-19-7-11(18)8-20-16/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)/t10-/m0/s1
InChIKeyRXRQXPCIGJNXRY-JTQLQIEISA-N
MW368.38 g/mol
LogP2.64
Rot. Bonds6

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

3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine (PubChem CID 25116188) has the molecular formula C17H17FN8O and a molecular weight of 368.38 g/mol. Its IUPAC name is 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine
PubChem CID25116188
Molecular FormulaC17H17FN8O
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Name3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine
SMILESCCOc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C17H17FN8O/c1-3-27-15-6-14(24-25-15)26-9-21-12-4-5-13(23-17(12)26)22-10(2)16-19-7-11(18)8-20-16/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)/t10-/m0/s1
InChIKeyRXRQXPCIGJNXRY-JTQLQIEISA-N
XLogP2.64
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine (CID 25116188) is 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)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-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine is CCOc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)[nH]n1.
What is the InChIKey of 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The InChIKey is RXRQXPCIGJNXRY-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17FN8O/c1-3-27-15-6-14(24-25-15)26-9-21-12-4-5-13(23-17(12)26)22-10(2)16-19-7-11(18)8-20-16/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)/t10-/m0/s1.
What are the key properties of 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine?
3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine has a molecular weight of 368.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-1H-pyrazol-5-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 25116188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).