N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine

C23H31N9O — CID 162648870

IUPACN-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCCc1nc2c(cnn2CC)c(NC2CCCCC2)c1C1=NOC2(C1)CC(C1N=NN=N1)C2
InChIInChI=1S/C23H31N9O/c1-3-17-19(18-12-23(33-29-18)10-14(11-23)21-27-30-31-28-21)20(25-15-8-6-5-7-9-15)16-13-24-32(4-2)22(16)26-17/h13-15,21H,3-12H2,1-2H3,(H,25,26)
InChIKeyGURINCBMWKPPBD-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.19
Rot. Bonds6

About N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine

N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 162648870) has the molecular formula C23H31N9O and a molecular weight of 449.56 g/mol. Its IUPAC name is N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine
PubChem CID162648870
Molecular FormulaC23H31N9O
Molecular Weight449.56 g/mol
Exact Mass449.27
IUPAC NameN-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCCc1nc2c(cnn2CC)c(NC2CCCCC2)c1C1=NOC2(C1)CC(C1N=NN=N1)C2
InChIInChI=1S/C23H31N9O/c1-3-17-19(18-12-23(33-29-18)10-14(11-23)21-27-30-31-28-21)20(25-15-8-6-5-7-9-15)16-13-24-32(4-2)22(16)26-17/h13-15,21H,3-12H2,1-2H3,(H,25,26)
InChIKeyGURINCBMWKPPBD-UHFFFAOYSA-N
XLogP5.19
TPSA113.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine (CID 162648870) is N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine is CCc1nc2c(cnn2CC)c(NC2CCCCC2)c1C1=NOC2(C1)CC(C1N=NN=N1)C2.
What is the InChIKey of N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is GURINCBMWKPPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N9O/c1-3-17-19(18-12-23(33-29-18)10-14(11-23)21-27-30-31-28-21)20(25-15-8-6-5-7-9-15)16-13-24-32(4-2)22(16)26-17/h13-15,21H,3-12H2,1-2H3,(H,25,26).
What are the key properties of N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine?
N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 449.56 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,6-diethyl-5-[2-(5H-tetrazol-5-yl)-5-oxa-6-azaspiro[3.4]oct-6-en-7-yl]pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 162648870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).