N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine

C20H17ClFN5 — CID 54671067

IUPACN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
SMILESCC(C)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/C20H17ClFN5/c1-12(2)27-20-17(6-8-24-19(20)11-25-27)26-14-5-7-23-18(10-14)15-9-13(21)3-4-16(15)22/h3-12H,1-2H3,(H,23,24,26)
InChIKeyHWNURTHOFVWUFY-UHFFFAOYSA-N
MW381.84 g/mol
LogP5.61
Rot. Bonds4

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

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54671067) has the molecular formula C20H17ClFN5 and a molecular weight of 381.84 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
PubChem CID54671067
Molecular FormulaC20H17ClFN5
Molecular Weight381.84 g/mol
Exact Mass381.12
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
SMILESCC(C)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/C20H17ClFN5/c1-12(2)27-20-17(6-8-24-19(20)11-25-27)26-14-5-7-23-18(10-14)15-9-13(21)3-4-16(15)22/h3-12H,1-2H3,(H,23,24,26)
InChIKeyHWNURTHOFVWUFY-UHFFFAOYSA-N
XLogP5.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.84
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine (CID 54671067) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine is CC(C)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is HWNURTHOFVWUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5/c1-12(2)27-20-17(6-8-24-19(20)11-25-27)26-14-5-7-23-18(10-14)15-9-13(21)3-4-16(15)22/h3-12H,1-2H3,(H,23,24,26).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 381.84 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54671067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).