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

C20H21FN6O — CID 68524770

IUPAC3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)Oc1cc(Nc2ccc3ncn([C@@H](C)c4ccc(F)cc4)c3n2)[nH]n1
InChIInChI=1S/C20H21FN6O/c1-12(2)28-19-10-18(25-26-19)23-17-9-8-16-20(24-17)27(11-22-16)13(3)14-4-6-15(21)7-5-14/h4-13H,1-3H3,(H2,23,24,25,26)/t13-/m0/s1
InChIKeyLFSCLRLXYICYQZ-ZDUSSCGKSA-N
MW380.43 g/mol
LogP4.43
Rot. Bonds6

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

3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine (PubChem CID 68524770) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
PubChem CID68524770
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)Oc1cc(Nc2ccc3ncn([C@@H](C)c4ccc(F)cc4)c3n2)[nH]n1
InChIInChI=1S/C20H21FN6O/c1-12(2)28-19-10-18(25-26-19)23-17-9-8-16-20(24-17)27(11-22-16)13(3)14-4-6-15(21)7-5-14/h4-13H,1-3H3,(H2,23,24,25,26)/t13-/m0/s1
InChIKeyLFSCLRLXYICYQZ-ZDUSSCGKSA-N
XLogP4.43
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine (CID 68524770) is 3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine is CC(C)Oc1cc(Nc2ccc3ncn([C@@H](C)c4ccc(F)cc4)c3n2)[nH]n1.
What is the InChIKey of 3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The InChIKey is LFSCLRLXYICYQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-12(2)28-19-10-18(25-26-19)23-17-9-8-16-20(24-17)27(11-22-16)13(3)14-4-6-15(21)7-5-14/h4-13H,1-3H3,(H2,23,24,25,26)/t13-/m0/s1.
What are the key properties of 3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine has a molecular weight of 380.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 68524770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).