3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine

C76H100N18O6Si2 — CID 158836162

IUPAC3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
SMILESCC(C)(C)[Si](C)(C)OC1CCC(O)C1.CC(C)(C)[Si](C)(C)OC1CCC(n2cc3c(N)nc4cc(-c5ccnn5C5CCCCO5)ccc4c3n2)C1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(C3CCC(O)C3)cc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12
InChIInChI=1S/C29H40N6O2Si.2C18H18N6O.C11H24O2Si/c1-29(2,3)38(4,5)37-21-11-10-20(17-21)34-18-23-27(33-34)22-12-9-19(16-24(22)32-28(23)30)25-13-14-31-35(25)26-8-6-7-15-36-26;19-18-14-9-24(11-2-3-12(25)8-11)23-17(14)13-4-1-10(7-16(13)21-18)15-5-6-20-22-15;19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h9,12-14,16,18,20-21,26H,6-8,10-11,15,17H2,1-5H3,(H2,30,32);1,4-7,9,11-12,25H,2-3,8H2,(H2,19,21)(H,20,22);4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);9-10,12H,6-8H2,1-5H3
InChIKeyIXQXKYCTRIVLRO-UHFFFAOYSA-N
MW1417.93 g/mol
LogP15.66
Rot. Bonds11

About 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine

3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 158836162) has the molecular formula C76H100N18O6Si2 and a molecular weight of 1417.93 g/mol. Its IUPAC name is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
PubChem CID158836162
Molecular FormulaC76H100N18O6Si2
Molecular Weight1417.93 g/mol
Exact Mass1416.76
IUPAC Name3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine
SMILESCC(C)(C)[Si](C)(C)OC1CCC(O)C1.CC(C)(C)[Si](C)(C)OC1CCC(n2cc3c(N)nc4cc(-c5ccnn5C5CCCCO5)ccc4c3n2)C1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(C3CCC(O)C3)cc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12
InChIInChI=1S/C29H40N6O2Si.2C18H18N6O.C11H24O2Si/c1-29(2,3)38(4,5)37-21-11-10-20(17-21)34-18-23-27(33-34)22-12-9-19(16-24(22)32-28(23)30)25-13-14-31-35(25)26-8-6-7-15-36-26;19-18-14-9-24(11-2-3-12(25)8-11)23-17(14)13-4-1-10(7-16(13)21-18)15-5-6-20-22-15;19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h9,12-14,16,18,20-21,26H,6-8,10-11,15,17H2,1-5H3,(H2,30,32);1,4-7,9,11-12,25H,2-3,8H2,(H2,19,21)(H,20,22);4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);9-10,12H,6-8H2,1-5H3
InChIKeyIXQXKYCTRIVLRO-UHFFFAOYSA-N
XLogP15.66
TPSA322.75 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms102
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001417.93
LogP ≤ 515.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine (CID 158836162) is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine is CC(C)(C)[Si](C)(C)OC1CCC(O)C1.CC(C)(C)[Si](C)(C)OC1CCC(n2cc3c(N)nc4cc(-c5ccnn5C5CCCCO5)ccc4c3n2)C1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(C3CCC(O)C3)cc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12.
What is the InChIKey of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?
The InChIKey is IXQXKYCTRIVLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6O2Si.2C18H18N6O.C11H24O2Si/c1-29(2,3)38(4,5)37-21-11-10-20(17-21)34-18-23-27(33-34)22-12-9-19(16-24(22)32-28(23)30)25-13-14-31-35(25)26-8-6-7-15-36-26;19-18-14-9-24(11-2-3-12(25)8-11)23-17(14)13-4-1-10(7-16(13)21-18)15-5-6-20-22-15;19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h9,12-14,16,18,20-21,26H,6-8,10-11,15,17H2,1-5H3,(H2,30,32);1,4-7,9,11-12,25H,2-3,8H2,(H2,19,21)(H,20,22);4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);9-10,12H,6-8H2,1-5H3.
What are the key properties of 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine?
3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine has a molecular weight of 1417.93 g/mol, XLogP of 15.66, 11 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 158836162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).