[4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine

C23H26N8S — CID 167366331

IUPAC[4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2cnc3c(N4CCc5c(-c6nccs6)cccc54)n[nH]c3n2)CC1
InChIInChI=1S/C23H26N8S/c1-23(14-24)6-10-30(11-7-23)18-13-26-19-20(27-18)28-29-21(19)31-9-5-15-16(3-2-4-17(15)31)22-25-8-12-32-22/h2-4,8,12-13H,5-7,9-11,14,24H2,1H3,(H,27,28,29)
InChIKeyCVAAPWUIIAMJBC-UHFFFAOYSA-N
MW446.58 g/mol
LogP3.74
Rot. Bonds4

About [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine

[4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine (PubChem CID 167366331) has the molecular formula C23H26N8S and a molecular weight of 446.58 g/mol. Its IUPAC name is [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
PubChem CID167366331
Molecular FormulaC23H26N8S
Molecular Weight446.58 g/mol
Exact Mass446.20
IUPAC Name[4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2cnc3c(N4CCc5c(-c6nccs6)cccc54)n[nH]c3n2)CC1
InChIInChI=1S/C23H26N8S/c1-23(14-24)6-10-30(11-7-23)18-13-26-19-20(27-18)28-29-21(19)31-9-5-15-16(3-2-4-17(15)31)22-25-8-12-32-22/h2-4,8,12-13H,5-7,9-11,14,24H2,1H3,(H,27,28,29)
InChIKeyCVAAPWUIIAMJBC-UHFFFAOYSA-N
XLogP3.74
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine 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 [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine (CID 167366331) is [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine is CC1(CN)CCN(c2cnc3c(N4CCc5c(-c6nccs6)cccc54)n[nH]c3n2)CC1.
What is the InChIKey of [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The InChIKey is CVAAPWUIIAMJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8S/c1-23(14-24)6-10-30(11-7-23)18-13-26-19-20(27-18)28-29-21(19)31-9-5-15-16(3-2-4-17(15)31)22-25-8-12-32-22/h2-4,8,12-13H,5-7,9-11,14,24H2,1H3,(H,27,28,29).
What are the key properties of [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
[4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine has a molecular weight of 446.58 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 167366331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).