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

C23H21ClFN5O — CID 54671348

IUPACN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(CC4CCOCC4)c23)ccn1
InChIInChI=1S/C23H21ClFN5O/c24-16-1-2-19(25)18(11-16)21-12-17(3-7-26-21)29-20-4-8-27-22-13-28-30(23(20)22)14-15-5-9-31-10-6-15/h1-4,7-8,11-13,15H,5-6,9-10,14H2,(H,26,27,29)
InChIKeySUCVBANYUXUBFI-UHFFFAOYSA-N
MW437.91 g/mol
LogP5.46
Rot. Bonds5

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

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54671348) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
PubChem CID54671348
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(CC4CCOCC4)c23)ccn1
InChIInChI=1S/C23H21ClFN5O/c24-16-1-2-19(25)18(11-16)21-12-17(3-7-26-21)29-20-4-8-27-22-13-28-30(23(20)22)14-15-5-9-31-10-6-15/h1-4,7-8,11-13,15H,5-6,9-10,14H2,(H,26,27,29)
InChIKeySUCVBANYUXUBFI-UHFFFAOYSA-N
XLogP5.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.91
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
2-[7-[[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670034
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670128
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670129
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670130
7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670226
N-(2-(5-chloro-2-fluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671350
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
CID 67469574
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 67470405
US9725449, Example 302
CID 122694924
TREM2 agonist-2
CID 165412595

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine (CID 54671348) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(CC4CCOCC4)c23)ccn1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is SUCVBANYUXUBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c24-16-1-2-19(25)18(11-16)21-12-17(3-7-26-21)29-20-4-8-27-22-13-28-30(23(20)22)14-15-5-9-31-10-6-15/h1-4,7-8,11-13,15H,5-6,9-10,14H2,(H,26,27,29).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 437.91 g/mol, XLogP of 5.46, 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]-1-(oxan-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54671348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).