N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine

C23H16N8S — CID 137387371

IUPACN-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
SMILESc1cc(Nc2ccc(-c3cn[nH]c3)nc2)nc(-c2ccc3cc(-c4nccs4)[nH]c3c2)n1
InChIInChI=1S/C23H16N8S/c1-2-15(10-19-14(1)9-20(30-19)23-25-7-8-32-23)22-24-6-5-21(31-22)29-17-3-4-18(26-13-17)16-11-27-28-12-16/h1-13,30H,(H,27,28)(H,24,29,31)
InChIKeyVOXXCAPLHNUSLO-UHFFFAOYSA-N
MW436.50 g/mol
LogP5.28
Rot. Bonds5

About N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine

N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine (PubChem CID 137387371) has the molecular formula C23H16N8S and a molecular weight of 436.50 g/mol. Its IUPAC name is N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
PubChem CID137387371
Molecular FormulaC23H16N8S
Molecular Weight436.50 g/mol
Exact Mass436.12
IUPAC NameN-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
SMILESc1cc(Nc2ccc(-c3cn[nH]c3)nc2)nc(-c2ccc3cc(-c4nccs4)[nH]c3c2)n1
InChIInChI=1S/C23H16N8S/c1-2-15(10-19-14(1)9-20(30-19)23-25-7-8-32-23)22-24-6-5-21(31-22)29-17-3-4-18(26-13-17)16-11-27-28-12-16/h1-13,30H,(H,27,28)(H,24,29,31)
InChIKeyVOXXCAPLHNUSLO-UHFFFAOYSA-N
XLogP5.28
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine?
The IUPAC name of N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine (CID 137387371) is N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine?
The canonical SMILES for N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine is c1cc(Nc2ccc(-c3cn[nH]c3)nc2)nc(-c2ccc3cc(-c4nccs4)[nH]c3c2)n1.
What is the InChIKey of N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine?
The InChIKey is VOXXCAPLHNUSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8S/c1-2-15(10-19-14(1)9-20(30-19)23-25-7-8-32-23)22-24-6-5-21(31-22)29-17-3-4-18(26-13-17)16-11-27-28-12-16/h1-13,30H,(H,27,28)(H,24,29,31).
What are the key properties of N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine?
N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine has a molecular weight of 436.50 g/mol, XLogP of 5.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine is sourced from PubChem (CID 137387371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).