tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate

C26H33N7O3 — CID 155679613

IUPACtert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCn1cc2c(n1)c(N)nc1cc(-c3ccnn3C3CCCCO3)ccc12
InChIInChI=1S/C26H33N7O3/c1-26(2,3)36-25(34)28-11-6-13-32-16-19-18-9-8-17(15-20(18)30-24(27)23(19)31-32)21-10-12-29-33(21)22-7-4-5-14-35-22/h8-10,12,15-16,22H,4-7,11,13-14H2,1-3H3,(H2,27,30)(H,28,34)
InChIKeyDAJQZFGHOVXUOA-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.64
Rot. Bonds6

About tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate

tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate (PubChem CID 155679613) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate
PubChem CID155679613
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Nametert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCn1cc2c(n1)c(N)nc1cc(-c3ccnn3C3CCCCO3)ccc12
InChIInChI=1S/C26H33N7O3/c1-26(2,3)36-25(34)28-11-6-13-32-16-19-18-9-8-17(15-20(18)30-24(27)23(19)31-32)21-10-12-29-33(21)22-7-4-5-14-35-22/h8-10,12,15-16,22H,4-7,11,13-14H2,1-3H3,(H2,27,30)(H,28,34)
InChIKeyDAJQZFGHOVXUOA-UHFFFAOYSA-N
XLogP4.64
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate (CID 155679613) is tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate is CC(C)(C)OC(=O)NCCCn1cc2c(n1)c(N)nc1cc(-c3ccnn3C3CCCCO3)ccc12.
What is the InChIKey of tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate?
The InChIKey is DAJQZFGHOVXUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3/c1-26(2,3)36-25(34)28-11-6-13-32-16-19-18-9-8-17(15-20(18)30-24(27)23(19)31-32)21-10-12-29-33(21)22-7-4-5-14-35-22/h8-10,12,15-16,22H,4-7,11,13-14H2,1-3H3,(H2,27,30)(H,28,34).
What are the key properties of tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate?
tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate has a molecular weight of 491.60 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate is sourced from PubChem (CID 155679613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).