[3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine

C24H23FN6OS — CID 170119170

IUPAC[3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine
SMILESCc1cnn(-c2nc(-c3cc(CN)[nH]n3)c(-c3ccc(F)cc3OC(C)C)c3sccc23)c1
InChIInChI=1S/C24H23FN6OS/c1-13(2)32-20-8-15(25)4-5-17(20)21-22(19-9-16(10-26)29-30-19)28-24(18-6-7-33-23(18)21)31-12-14(3)11-27-31/h4-9,11-13H,10,26H2,1-3H3,(H,29,30)
InChIKeyAMXXVSAJNIYNPU-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.23
Rot. Bonds6

About [3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine

[3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine (PubChem CID 170119170) has the molecular formula C24H23FN6OS and a molecular weight of 462.55 g/mol. Its IUPAC name is [3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine
PubChem CID170119170
Molecular FormulaC24H23FN6OS
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name[3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine
SMILESCc1cnn(-c2nc(-c3cc(CN)[nH]n3)c(-c3ccc(F)cc3OC(C)C)c3sccc23)c1
InChIInChI=1S/C24H23FN6OS/c1-13(2)32-20-8-15(25)4-5-17(20)21-22(19-9-16(10-26)29-30-19)28-24(18-6-7-33-23(18)21)31-12-14(3)11-27-31/h4-9,11-13H,10,26H2,1-3H3,(H,29,30)
InChIKeyAMXXVSAJNIYNPU-UHFFFAOYSA-N
XLogP5.23
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine (CID 170119170) is [3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine is Cc1cnn(-c2nc(-c3cc(CN)[nH]n3)c(-c3ccc(F)cc3OC(C)C)c3sccc23)c1.
What is the InChIKey of [3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine?
The InChIKey is AMXXVSAJNIYNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6OS/c1-13(2)32-20-8-15(25)4-5-17(20)21-22(19-9-16(10-26)29-30-19)28-24(18-6-7-33-23(18)21)31-12-14(3)11-27-31/h4-9,11-13H,10,26H2,1-3H3,(H,29,30).
What are the key properties of [3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine?
[3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine has a molecular weight of 462.55 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 170119170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).