[4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine

C24H28N8S — CID 146424365

IUPAC[4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2cnc3c(N4CCCc5c(-c6nccs6)cccc54)n[nH]c3n2)CC1
InChIInChI=1S/C24H28N8S/c1-24(15-25)7-11-31(12-8-24)19-14-27-20-21(28-19)29-30-22(20)32-10-3-5-16-17(4-2-6-18(16)32)23-26-9-13-33-23/h2,4,6,9,13-14H,3,5,7-8,10-12,15,25H2,1H3,(H,28,29,30)
InChIKeyCVGCKHNTCFNALJ-UHFFFAOYSA-N
MW460.61 g/mol
LogP4.13
Rot. Bonds4

About [4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine

[4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine (PubChem CID 146424365) has the molecular formula C24H28N8S and a molecular weight of 460.61 g/mol. Its IUPAC name is [4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
PubChem CID146424365
Molecular FormulaC24H28N8S
Molecular Weight460.61 g/mol
Exact Mass460.22
IUPAC Name[4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2cnc3c(N4CCCc5c(-c6nccs6)cccc54)n[nH]c3n2)CC1
InChIInChI=1S/C24H28N8S/c1-24(15-25)7-11-31(12-8-24)19-14-27-20-21(28-19)29-30-22(20)32-10-3-5-16-17(4-2-6-18(16)32)23-26-9-13-33-23/h2,4,6,9,13-14H,3,5,7-8,10-12,15,25H2,1H3,(H,28,29,30)
InChIKeyCVGCKHNTCFNALJ-UHFFFAOYSA-N
XLogP4.13
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.61
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine (CID 146424365) is [4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine is CC1(CN)CCN(c2cnc3c(N4CCCc5c(-c6nccs6)cccc54)n[nH]c3n2)CC1.
What is the InChIKey of [4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The InChIKey is CVGCKHNTCFNALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8S/c1-24(15-25)7-11-31(12-8-24)19-14-27-20-21(28-19)29-30-22(20)32-10-3-5-16-17(4-2-6-18(16)32)23-26-9-13-33-23/h2,4,6,9,13-14H,3,5,7-8,10-12,15,25H2,1H3,(H,28,29,30).
What are the key properties of [4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
[4-methyl-1-[3-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine has a molecular weight of 460.61 g/mol, XLogP of 4.13, 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-[5-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 146424365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).