7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate

C64H85BrN12O8 — CID 161379698

IUPAC7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1.CCCCn1cc2c(n1)c(NCc1ccc(OC)cc1OC)nc1cc(Br)ccc12.CCCCn1cc2c(n1)c(NCc1ccc(OC)cc1OC)nc1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc12
InChIInChI=1S/C32H42N6O4.C23H25BrN4O2.C9H18N2O2/c1-7-8-13-38-21-26-25-12-10-23(36-14-16-37(17-15-36)31(39)42-32(2,3)4)18-27(25)34-30(29(26)35-38)33-20-22-9-11-24(40-5)19-28(22)41-6;1-4-5-10-28-14-19-18-9-7-16(24)11-20(18)26-23(22(19)27-28)25-13-15-6-8-17(29-2)12-21(15)30-3;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h9-12,18-19,21H,7-8,13-17,20H2,1-6H3,(H,33,34);6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,25,26);10H,4-7H2,1-3H3
InChIKeyVROFIZHQLBNPAM-UHFFFAOYSA-N
MW1230.36 g/mol
LogP12.67
Rot. Bonds17

About 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate

7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate (PubChem CID 161379698) has the molecular formula C64H85BrN12O8 and a molecular weight of 1230.36 g/mol. Its IUPAC name is 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate.

Molecular Properties

Compound Name7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
PubChem CID161379698
Molecular FormulaC64H85BrN12O8
Molecular Weight1230.36 g/mol
Exact Mass1228.58
IUPAC Name7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1.CCCCn1cc2c(n1)c(NCc1ccc(OC)cc1OC)nc1cc(Br)ccc12.CCCCn1cc2c(n1)c(NCc1ccc(OC)cc1OC)nc1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc12
InChIInChI=1S/C32H42N6O4.C23H25BrN4O2.C9H18N2O2/c1-7-8-13-38-21-26-25-12-10-23(36-14-16-37(17-15-36)31(39)42-32(2,3)4)18-27(25)34-30(29(26)35-38)33-20-22-9-11-24(40-5)19-28(22)41-6;1-4-5-10-28-14-19-18-9-7-16(24)11-20(18)26-23(22(19)27-28)25-13-15-6-8-17(29-2)12-21(15)30-3;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h9-12,18-19,21H,7-8,13-17,20H2,1-6H3,(H,33,34);6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,25,26);10H,4-7H2,1-3H3
InChIKeyVROFIZHQLBNPAM-UHFFFAOYSA-N
XLogP12.67
TPSA196.75 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001230.36
LogP ≤ 512.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate with MolForge

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Related Compounds

Tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;2-butyl-7-piperazin-1-ylpyrazolo[3,4-c]quinolin-4-amine;2,2,2-trifluoroacetaldehyde
CID 164960395
Tert-butyl 3-[3-bromo-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 90311692
(R)-tert-butyl 3-(3-bromo-4-((2,4-dimethoxybenzyl)amino)-1H-pyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 90311693
1-[8-[Bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea
CID 135344403
1-[3-[4-[[8-[Bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 135345406
1-N,1-N-bis[(2,4-dimethoxyphenyl)methyl]-6-N-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
CID 135349133
tert-butyl (3R)-3-[7-bromo-4-[(2,4-dimethoxyphenyl)methylamino]-3-[3-methyl-4-(phenylcarbamoyl)cyclohexa-1,3-dien-1-yl]pyrazolo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 137411883
tert-butyl (3S)-3-[3-bromo-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 142749849
Tert-butyl 3-[7-bromo-4-[(2,4-dimethoxyphenyl)methylamino]-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 142749924
7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine
CID 155128270
Tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate
CID 155128369
1-(6-Bromo-2-pyridinyl)-3-[[5-[4-[(2,4-dimethoxyphenyl)methylamino]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methyl]urea
CID 156303980

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?
The IUPAC name of 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate (CID 161379698) is 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate.
What is the SMILES notation for 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?
The canonical SMILES for 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1.CCCCn1cc2c(n1)c(NCc1ccc(OC)cc1OC)nc1cc(Br)ccc12.CCCCn1cc2c(n1)c(NCc1ccc(OC)cc1OC)nc1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc12.
What is the InChIKey of 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?
The InChIKey is VROFIZHQLBNPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O4.C23H25BrN4O2.C9H18N2O2/c1-7-8-13-38-21-26-25-12-10-23(36-14-16-37(17-15-36)31(39)42-32(2,3)4)18-27(25)34-30(29(26)35-38)33-20-22-9-11-24(40-5)19-28(22)41-6;1-4-5-10-28-14-19-18-9-7-16(24)11-20(18)26-23(22(19)27-28)25-13-15-6-8-17(29-2)12-21(15)30-3;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h9-12,18-19,21H,7-8,13-17,20H2,1-6H3,(H,33,34);6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,25,26);10H,4-7H2,1-3H3.
What are the key properties of 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?
7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate has a molecular weight of 1230.36 g/mol, XLogP of 12.67, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]pyrazolo[3,4-c]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate is sourced from PubChem (CID 161379698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).