3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine

C27H23F2N5O — CID 68785857

IUPAC3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1oc2ccccc2c1-c1cccc(F)c1F
InChIInChI=1S/C27H23F2N5O/c28-21-6-3-5-18(24(21)29)23-17-4-1-2-7-22(17)35-26(23)19-12-16(13-32-27(19)30)20-14-33-34-25(20)15-8-10-31-11-9-15/h1-7,12-15,31H,8-11H2,(H2,30,32)(H,33,34)
InChIKeyHUZYPNHBNNAZOC-UHFFFAOYSA-N
MW471.51 g/mol
LogP5.88
Rot. Bonds4

About 3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine

3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 68785857) has the molecular formula C27H23F2N5O and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID68785857
Molecular FormulaC27H23F2N5O
Molecular Weight471.51 g/mol
Exact Mass471.19
IUPAC Name3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1oc2ccccc2c1-c1cccc(F)c1F
InChIInChI=1S/C27H23F2N5O/c28-21-6-3-5-18(24(21)29)23-17-4-1-2-7-22(17)35-26(23)19-12-16(13-32-27(19)30)20-14-33-34-25(20)15-8-10-31-11-9-15/h1-7,12-15,31H,8-11H2,(H2,30,32)(H,33,34)
InChIKeyHUZYPNHBNNAZOC-UHFFFAOYSA-N
XLogP5.88
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine (CID 68785857) is 3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1oc2ccccc2c1-c1cccc(F)c1F.
What is the InChIKey of 3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is HUZYPNHBNNAZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5O/c28-21-6-3-5-18(24(21)29)23-17-4-1-2-7-22(17)35-26(23)19-12-16(13-32-27(19)30)20-14-33-34-25(20)15-8-10-31-11-9-15/h1-7,12-15,31H,8-11H2,(H2,30,32)(H,33,34).
What are the key properties of 3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine?
3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 471.51 g/mol, XLogP of 5.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-difluorophenyl)-1-benzofuran-2-yl]-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 68785857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).