4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

C14H16N6O — CID 4577158

IUPAC4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1[nH]nc2nc(N3CCCCC3)nc(-c3ccco3)c12
InChIInChI=1S/C14H16N6O/c15-12-10-11(9-5-4-8-21-9)16-14(17-13(10)19-18-12)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7H2,(H3,15,16,17,18,19)
InChIKeyBNBBCKAANSSGDU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.19
Rot. Bonds2

About 4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 4577158) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID4577158
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1[nH]nc2nc(N3CCCCC3)nc(-c3ccco3)c12
InChIInChI=1S/C14H16N6O/c15-12-10-11(9-5-4-8-21-9)16-14(17-13(10)19-18-12)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7H2,(H3,15,16,17,18,19)
InChIKeyBNBBCKAANSSGDU-UHFFFAOYSA-N
XLogP2.19
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539611
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
3-Furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
CID 44640177
2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903
6-Amino-N-benzyl-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 22015504
1-[(3-Chlorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015532
N-[6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539592
1-benzyl-N-[5-bromo-6-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-3-carboxamide
CID 6539615
N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
N-(2-furanylmethyl)-3-(2,4,8,10-tetramethyl-3-pyrido[2,3]pyrazolo[2,4-a]pyrimidinyl)propanamide
CID 5308404
[4-(3-Fluoro-benzoyl)-piperazin-1-yl]-(5-furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 1164940
4-(Furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9818556

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (CID 4577158) is 4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is Nc1[nH]nc2nc(N3CCCCC3)nc(-c3ccco3)c12.
What is the InChIKey of 4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is BNBBCKAANSSGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-12-10-11(9-5-4-8-21-9)16-14(17-13(10)19-18-12)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7H2,(H3,15,16,17,18,19).
What are the key properties of 4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 284.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-piperidin-1-yl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 4577158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).