3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C26H23FN6O — CID 67520653

IUPAC3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2c(-c3ccco3)ccc(F)c2cn1
InChIInChI=1S/C26H23FN6O/c27-23-4-3-19(25-2-1-9-34-25)20-11-24(30-14-22(20)23)21-10-16(12-31-26(21)28)17-13-32-33(15-17)18-5-7-29-8-6-18/h1-4,9-15,18,29H,5-8H2,(H2,28,31)
InChIKeyONNOOBKPLDOQIJ-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.07
Rot. Bonds4

About 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 67520653) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID67520653
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2c(-c3ccco3)ccc(F)c2cn1
InChIInChI=1S/C26H23FN6O/c27-23-4-3-19(25-2-1-9-34-25)20-11-24(30-14-22(20)23)21-10-16(12-31-26(21)28)17-13-32-33(15-17)18-5-7-29-8-6-18/h1-4,9-15,18,29H,5-8H2,(H2,28,31)
InChIKeyONNOOBKPLDOQIJ-UHFFFAOYSA-N
XLogP5.07
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(furan-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 44223937
N-[(1R)-1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
CID 70977662
3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide
CID 73336036
N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
CID 73336228
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 127024757
6-(3-ethyl-1-benzofuran-5-yl)-2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 70977659
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]ethyl]pyrimidin-4-amine
CID 127024725
1-(6-Ethoxy-pyridin-3-ylmethyl)-3-phenyl-1H-pyrazole-4-carboxylic acid (1-amino-isoquinolin-6-ylmethyl)-amide
CID 121291114
2-amino-4-(3-furyl)-6-(3-methyl-1-propyl-1H-pyrazol-4-yl)nicotinonitrile
CID 56877211
6-(7-fluoro-3-methyl-1-benzofuran-5-yl)-2-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 70977044
6-(7-fluoro-3-methyl-1-benzofuran-5-yl)-2-methyl-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine
CID 70977047
2-methyl-6-(3-methyl-1-benzofuran-5-yl)-N-[(1S)-1-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]ethyl]pyrimidin-4-amine
CID 70977075

Frequently Asked Questions

What is the IUPAC name of 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 67520653) is 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2c(-c3ccco3)ccc(F)c2cn1.
What is the InChIKey of 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is ONNOOBKPLDOQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c27-23-4-3-19(25-2-1-9-34-25)20-11-24(30-14-22(20)23)21-10-16(12-31-26(21)28)17-13-32-33(15-17)18-5-7-29-8-6-18/h1-4,9-15,18,29H,5-8H2,(H2,28,31).
What are the key properties of 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 454.51 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-fluoro-5-(furan-2-yl)isoquinolin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 67520653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).