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

C20H17ClFN5O — CID 54671353

IUPACN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESCOCCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
InChIInChI=1S/C20H17ClFN5O/c1-28-9-8-27-12-19-20(26-27)17(5-7-24-19)25-14-4-6-23-18(11-14)15-10-13(21)2-3-16(15)22/h2-7,10-12H,8-9H2,1H3,(H,23,25)
InChIKeyOHDHCWYZTUDLAU-UHFFFAOYSA-N
MW397.84 g/mol
LogP4.68
Rot. Bonds6

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

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54671353) has the molecular formula C20H17ClFN5O and a molecular weight of 397.84 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine
PubChem CID54671353
Molecular FormulaC20H17ClFN5O
Molecular Weight397.84 g/mol
Exact Mass397.11
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESCOCCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1
InChIInChI=1S/C20H17ClFN5O/c1-28-9-8-27-12-19-20(26-27)17(5-7-24-19)25-14-4-6-23-18(11-14)15-10-13(21)2-3-16(15)22/h2-7,10-12H,8-9H2,1H3,(H,23,25)
InChIKeyOHDHCWYZTUDLAU-UHFFFAOYSA-N
XLogP4.68
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 54.68
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-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine (CID 54671353) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine is COCCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is OHDHCWYZTUDLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O/c1-28-9-8-27-12-19-20(26-27)17(5-7-24-19)25-14-4-6-23-18(11-14)15-10-13(21)2-3-16(15)22/h2-7,10-12H,8-9H2,1H3,(H,23,25).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 397.84 g/mol, XLogP of 4.68, 6 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-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54671353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).