7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine

C25H30ClN9 — CID 156641649

IUPAC7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine
SMILESCc1nc2c(-c3ccc4ncc(N(C)C)nc4c3Cl)[nH]nc2nc1N1CCC2(CCC[C@H]2N)CC1
InChIInChI=1S/C25H30ClN9/c1-14-24(35-11-9-25(10-12-35)8-4-5-17(25)27)31-23-22(29-14)20(32-33-23)15-6-7-16-21(19(15)26)30-18(13-28-16)34(2)3/h6-7,13,17H,4-5,8-12,27H2,1-3H3,(H,31,32,33)/t17-/m1/s1
InChIKeyHQZWGPNRTLWAAS-QGZVFWFLSA-N
MW492.03 g/mol
LogP4.09
Rot. Bonds3

About 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine

7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine (PubChem CID 156641649) has the molecular formula C25H30ClN9 and a molecular weight of 492.03 g/mol. Its IUPAC name is 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine.

Molecular Properties

Compound Name7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine
PubChem CID156641649
Molecular FormulaC25H30ClN9
Molecular Weight492.03 g/mol
Exact Mass491.23
IUPAC Name7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine
SMILESCc1nc2c(-c3ccc4ncc(N(C)C)nc4c3Cl)[nH]nc2nc1N1CCC2(CCC[C@H]2N)CC1
InChIInChI=1S/C25H30ClN9/c1-14-24(35-11-9-25(10-12-35)8-4-5-17(25)27)31-23-22(29-14)20(32-33-23)15-6-7-16-21(19(15)26)30-18(13-28-16)34(2)3/h6-7,13,17H,4-5,8-12,27H2,1-3H3,(H,31,32,33)/t17-/m1/s1
InChIKeyHQZWGPNRTLWAAS-QGZVFWFLSA-N
XLogP4.09
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.03
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine?
The IUPAC name of 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine (CID 156641649) is 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine.
What is the SMILES notation for 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine?
The canonical SMILES for 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine is Cc1nc2c(-c3ccc4ncc(N(C)C)nc4c3Cl)[nH]nc2nc1N1CCC2(CCC[C@H]2N)CC1.
What is the InChIKey of 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine?
The InChIKey is HQZWGPNRTLWAAS-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H30ClN9/c1-14-24(35-11-9-25(10-12-35)8-4-5-17(25)27)31-23-22(29-14)20(32-33-23)15-6-7-16-21(19(15)26)30-18(13-28-16)34(2)3/h6-7,13,17H,4-5,8-12,27H2,1-3H3,(H,31,32,33)/t17-/m1/s1.
What are the key properties of 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine?
7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine has a molecular weight of 492.03 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]-8-chloro-N,N-dimethylquinoxalin-2-amine is sourced from PubChem (CID 156641649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).