N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine

C22H19ClFN5O — CID 54671157

IUPACN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(C4CCOCC4)c23)ccn1
InChIInChI=1S/C22H19ClFN5O/c23-14-1-2-18(24)17(11-14)20-12-15(3-7-25-20)28-19-4-8-26-21-13-27-29(22(19)21)16-5-9-30-10-6-16/h1-4,7-8,11-13,16H,5-6,9-10H2,(H,25,26,28)
InChIKeyDKWYYRBUOCFKQH-UHFFFAOYSA-N
MW423.88 g/mol
LogP5.38
Rot. Bonds4

About N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54671157) 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]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine
PubChem CID54671157
Molecular FormulaC22H19ClFN5O
Molecular Weight423.88 g/mol
Exact Mass423.13
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(C4CCOCC4)c23)ccn1
InChIInChI=1S/C22H19ClFN5O/c23-14-1-2-18(24)17(11-14)20-12-15(3-7-25-20)28-19-4-8-26-21-13-27-29(22(19)21)16-5-9-30-10-6-16/h1-4,7-8,11-13,16H,5-6,9-10H2,(H,25,26,28)
InChIKeyDKWYYRBUOCFKQH-UHFFFAOYSA-N
XLogP5.38
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.88
LogP ≤ 55.38
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]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine (CID 54671157) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(C4CCOCC4)c23)ccn1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is DKWYYRBUOCFKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O/c23-14-1-2-18(24)17(11-14)20-12-15(3-7-25-20)28-19-4-8-26-21-13-27-29(22(19)21)16-5-9-30-10-6-16/h1-4,7-8,11-13,16H,5-6,9-10H2,(H,25,26,28).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 423.88 g/mol, XLogP of 5.38, 4 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]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54671157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).