4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine

C21H24FN7O — CID 56960500

IUPAC4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
SMILESFCCNCC1CCN(c2nc(Nc3ccc4cn[nH]c4c3)nc3ccoc23)CC1
InChIInChI=1S/C21H24FN7O/c22-6-7-23-12-14-3-8-29(9-4-14)20-19-17(5-10-30-19)26-21(27-20)25-16-2-1-15-13-24-28-18(15)11-16/h1-2,5,10-11,13-14,23H,3-4,6-9,12H2,(H,24,28)(H,25,26,27)
InChIKeyLBNMMNCCKPDQCE-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.62
Rot. Bonds7

About 4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine

4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine (PubChem CID 56960500) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
PubChem CID56960500
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine
SMILESFCCNCC1CCN(c2nc(Nc3ccc4cn[nH]c4c3)nc3ccoc23)CC1
InChIInChI=1S/C21H24FN7O/c22-6-7-23-12-14-3-8-29(9-4-14)20-19-17(5-10-30-19)26-21(27-20)25-16-2-1-15-13-24-28-18(15)11-16/h1-2,5,10-11,13-14,23H,3-4,6-9,12H2,(H,24,28)(H,25,26,27)
InChIKeyLBNMMNCCKPDQCE-UHFFFAOYSA-N
XLogP3.62
TPSA94.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-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-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine (CID 56960500) is 4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine is FCCNCC1CCN(c2nc(Nc3ccc4cn[nH]c4c3)nc3ccoc23)CC1.
What is the InChIKey of 4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
The InChIKey is LBNMMNCCKPDQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c22-6-7-23-12-14-3-8-29(9-4-14)20-19-17(5-10-30-19)26-21(27-20)25-16-2-1-15-13-24-28-18(15)11-16/h1-2,5,10-11,13-14,23H,3-4,6-9,12H2,(H,24,28)(H,25,26,27).
What are the key properties of 4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine?
4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine has a molecular weight of 409.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluoroethylamino)methyl]piperidin-1-yl]-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 56960500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).