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

C24H33N7 — CID 167845097

IUPAC[4-methyl-1-[3-(4-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
SMILESCC(C)C1CCN(c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)c2ccccc21
InChIInChI=1S/C24H33N7/c1-16(2)17-8-11-31(19-7-5-4-6-18(17)19)23-21-22(28-29-23)27-20(14-26-21)30-12-9-24(3,15-25)10-13-30/h4-7,14,16-17H,8-13,15,25H2,1-3H3,(H,27,28,29)
InChIKeyCJDGBCAIIPTQRV-UHFFFAOYSA-N
MW419.58 g/mol
LogP4.20
Rot. Bonds4

About [4-methyl-1-[3-(4-propan-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-(4-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine (PubChem CID 167845097) has the molecular formula C24H33N7 and a molecular weight of 419.58 g/mol. Its IUPAC name is [4-methyl-1-[3-(4-propan-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-(4-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
PubChem CID167845097
Molecular FormulaC24H33N7
Molecular Weight419.58 g/mol
Exact Mass419.28
IUPAC Name[4-methyl-1-[3-(4-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
SMILESCC(C)C1CCN(c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)c2ccccc21
InChIInChI=1S/C24H33N7/c1-16(2)17-8-11-31(19-7-5-4-6-18(17)19)23-21-22(28-29-23)27-20(14-26-21)30-12-9-24(3,15-25)10-13-30/h4-7,14,16-17H,8-13,15,25H2,1-3H3,(H,27,28,29)
InChIKeyCJDGBCAIIPTQRV-UHFFFAOYSA-N
XLogP4.20
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-methyl-1-[3-(4-propan-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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Related Compounds

[1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
CID 142484325
1-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinoline-5-sulfonyl fluoride
CID 139527561
[4-methyl-1-[3-(5-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CID 142484397
[1-[3-(6-isocyano-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
CID 167366376
[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
(3R)-7-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
CID 135388355
(3S)-7-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
CID 135388147
(3S,4S)-8-[3-[4-(difluoromethyl)-6-isocyano-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366327
N'-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 142484688
(3S,4S)-8-[3-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366294
4-methyl-1-[3-[5-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
CID 134474233
(3S,4S)-3-methyl-8-[3-[5-(1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135388882

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[3-(4-propan-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-(4-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine (CID 167845097) is [4-methyl-1-[3-(4-propan-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-(4-propan-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-(4-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine is CC(C)C1CCN(c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)c2ccccc21.
What is the InChIKey of [4-methyl-1-[3-(4-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The InChIKey is CJDGBCAIIPTQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7/c1-16(2)17-8-11-31(19-7-5-4-6-18(17)19)23-21-22(28-29-23)27-20(14-26-21)30-12-9-24(3,15-25)10-13-30/h4-7,14,16-17H,8-13,15,25H2,1-3H3,(H,27,28,29).
What are the key properties of [4-methyl-1-[3-(4-propan-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-(4-propan-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 419.58 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[3-(4-propan-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 167845097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).