N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine

C22H19ClFN5O — CID 54671254

IUPACN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn(CC4CCCO4)nc23)ccn1
InChIInChI=1S/C22H19ClFN5O/c23-14-3-4-18(24)17(10-14)20-11-15(5-7-25-20)27-19-6-8-26-21-13-29(28-22(19)21)12-16-2-1-9-30-16/h3-8,10-11,13,16H,1-2,9,12H2,(H,25,27)
InChIKeyKTHXUURQUZQERF-UHFFFAOYSA-N
MW423.88 g/mol
LogP5.21
Rot. Bonds5

About N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54671254) has the molecular formula C22H19ClFN5O and a molecular weight of 423.88 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
PubChem CID54671254
Molecular FormulaC22H19ClFN5O
Molecular Weight423.88 g/mol
Exact Mass423.13
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn(CC4CCCO4)nc23)ccn1
InChIInChI=1S/C22H19ClFN5O/c23-14-3-4-18(24)17(10-14)20-11-15(5-7-25-20)27-19-6-8-26-21-13-29(28-22(19)21)12-16-2-1-9-30-16/h3-8,10-11,13,16H,1-2,9,12H2,(H,25,27)
InChIKeyKTHXUURQUZQERF-UHFFFAOYSA-N
XLogP5.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.88
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine (CID 54671254) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn(CC4CCCO4)nc23)ccn1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is KTHXUURQUZQERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O/c23-14-3-4-18(24)17(10-14)20-11-15(5-7-25-20)27-19-6-8-26-21-13-29(28-22(19)21)12-16-2-1-9-30-16/h3-8,10-11,13,16H,1-2,9,12H2,(H,25,27).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 423.88 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54671254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).