3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide

C24H25N5O2 — CID 156517139

IUPAC3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)oc2c1C1=NN(Cc3ccccn3)C(C)C1CC2
InChIInChI=1S/C24H25N5O2/c1-15-21-20(31-23(15)24(30)27-13-17-7-3-5-11-25-17)10-9-19-16(2)29(28-22(19)21)14-18-8-4-6-12-26-18/h3-8,11-12,16,19H,9-10,13-14H2,1-2H3,(H,27,30)
InChIKeySGWOKRGIPVFGGX-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.48
Rot. Bonds5

About 3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide

3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 156517139) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID156517139
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)oc2c1C1=NN(Cc3ccccn3)C(C)C1CC2
InChIInChI=1S/C24H25N5O2/c1-15-21-20(31-23(15)24(30)27-13-17-7-3-5-11-25-17)10-9-19-16(2)29(28-22(19)21)14-18-8-4-6-12-26-18/h3-8,11-12,16,19H,9-10,13-14H2,1-2H3,(H,27,30)
InChIKeySGWOKRGIPVFGGX-UHFFFAOYSA-N
XLogP3.48
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of 3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide (CID 156517139) is 3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide is Cc1c(C(=O)NCc2ccccn2)oc2c1C1=NN(Cc3ccccn3)C(C)C1CC2.
What is the InChIKey of 3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is SGWOKRGIPVFGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-21-20(31-23(15)24(30)27-13-17-7-3-5-11-25-17)10-9-19-16(2)29(28-22(19)21)14-18-8-4-6-12-26-18/h3-8,11-12,16,19H,9-10,13-14H2,1-2H3,(H,27,30).
What are the key properties of 3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide?
3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-N,2-bis(pyridin-2-ylmethyl)-3,3a,4,5-tetrahydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 156517139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).