4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine

C22H25N7O — CID 66980526

IUPAC4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
SMILESCc1[nH]nc2cc(Nc3nc(N4CCC5(CCNC5)CC4)c4occc4n3)ccc12
InChIInChI=1S/C22H25N7O/c1-14-16-3-2-15(12-18(16)28-27-14)24-21-25-17-4-11-30-19(17)20(26-21)29-9-6-22(7-10-29)5-8-23-13-22/h2-4,11-12,23H,5-10,13H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyBIADOCUVAFTYOC-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.73
Rot. Bonds3

About 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine

4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine (PubChem CID 66980526) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
PubChem CID66980526
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
SMILESCc1[nH]nc2cc(Nc3nc(N4CCC5(CCNC5)CC4)c4occc4n3)ccc12
InChIInChI=1S/C22H25N7O/c1-14-16-3-2-15(12-18(16)28-27-14)24-21-25-17-4-11-30-19(17)20(26-21)29-9-6-22(7-10-29)5-8-23-13-22/h2-4,11-12,23H,5-10,13H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyBIADOCUVAFTYOC-UHFFFAOYSA-N
XLogP3.73
TPSA94.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine (CID 66980526) is 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine is Cc1[nH]nc2cc(Nc3nc(N4CCC5(CCNC5)CC4)c4occc4n3)ccc12.
What is the InChIKey of 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
The InChIKey is BIADOCUVAFTYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-14-16-3-2-15(12-18(16)28-27-14)24-21-25-17-4-11-30-19(17)20(26-21)29-9-6-22(7-10-29)5-8-23-13-22/h2-4,11-12,23H,5-10,13H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine has a molecular weight of 403.49 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-diazaspiro[4.5]decan-8-yl)-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 66980526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).