benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine

C57H58Cl4N16O4 — CID 158245521

IUPACbenzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine
SMILESCOCC1(CN)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.COCC1(CNC(=O)OCc2ccccc2)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.Clc1cnc2c(-c3ccccc3Cl)[nH]nc2n1
InChIInChI=1S/C27H29ClN6O3.C19H23ClN6O.C11H6Cl2N4/c1-36-18-27(17-30-26(35)37-16-19-7-3-2-4-8-19)11-13-34(14-12-27)22-15-29-24-23(32-33-25(24)31-22)20-9-5-6-10-21(20)28;1-27-12-19(11-21)6-8-26(9-7-19)15-10-22-17-16(24-25-18(17)23-15)13-4-2-3-5-14(13)20;12-7-4-2-1-3-6(7)9-10-11(17-16-9)15-8(13)5-14-10/h2-10,15H,11-14,16-18H2,1H3,(H,30,35)(H,31,32,33);2-5,10H,6-9,11-12,21H2,1H3,(H,23,24,25);1-5H,(H,15,16,17)
InChIKeyGGBMGZQZRSDUKQ-UHFFFAOYSA-N
MW1173.01 g/mol
LogP11.02
Rot. Bonds14

About benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine

benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine (PubChem CID 158245521) has the molecular formula C57H58Cl4N16O4 and a molecular weight of 1173.01 g/mol. Its IUPAC name is benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Namebenzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine
PubChem CID158245521
Molecular FormulaC57H58Cl4N16O4
Molecular Weight1173.01 g/mol
Exact Mass1170.36
IUPAC Namebenzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine
SMILESCOCC1(CN)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.COCC1(CNC(=O)OCc2ccccc2)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.Clc1cnc2c(-c3ccccc3Cl)[nH]nc2n1
InChIInChI=1S/C27H29ClN6O3.C19H23ClN6O.C11H6Cl2N4/c1-36-18-27(17-30-26(35)37-16-19-7-3-2-4-8-19)11-13-34(14-12-27)22-15-29-24-23(32-33-25(24)31-22)20-9-5-6-10-21(20)28;1-27-12-19(11-21)6-8-26(9-7-19)15-10-22-17-16(24-25-18(17)23-15)13-4-2-3-5-14(13)20;12-7-4-2-1-3-6(7)9-10-11(17-16-9)15-8(13)5-14-10/h2-10,15H,11-14,16-18H2,1H3,(H,30,35)(H,31,32,33);2-5,10H,6-9,11-12,21H2,1H3,(H,23,24,25);1-5H,(H,15,16,17)
InChIKeyGGBMGZQZRSDUKQ-UHFFFAOYSA-N
XLogP11.02
TPSA252.67 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.01
LogP ≤ 511.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine?
The IUPAC name of benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine (CID 158245521) is benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine?
The canonical SMILES for benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine is COCC1(CN)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.COCC1(CNC(=O)OCc2ccccc2)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.Clc1cnc2c(-c3ccccc3Cl)[nH]nc2n1.
What is the InChIKey of benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine?
The InChIKey is GGBMGZQZRSDUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6O3.C19H23ClN6O.C11H6Cl2N4/c1-36-18-27(17-30-26(35)37-16-19-7-3-2-4-8-19)11-13-34(14-12-27)22-15-29-24-23(32-33-25(24)31-22)20-9-5-6-10-21(20)28;1-27-12-19(11-21)6-8-26(9-7-19)15-10-22-17-16(24-25-18(17)23-15)13-4-2-3-5-14(13)20;12-7-4-2-1-3-6(7)9-10-11(17-16-9)15-8(13)5-14-10/h2-10,15H,11-14,16-18H2,1H3,(H,30,35)(H,31,32,33);2-5,10H,6-9,11-12,21H2,1H3,(H,23,24,25);1-5H,(H,15,16,17).
What are the key properties of benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine?
benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine has a molecular weight of 1173.01 g/mol, XLogP of 11.02, 14 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methyl]carbamate;6-chloro-3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 158245521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).