1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile

C19H18N8O — CID 90105262

IUPAC1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile
SMILESN#CC1(n2cc(Nc3nc(-c4ccco4)nc4cn[nH]c34)cn2)CCCCC1
InChIInChI=1S/C19H18N8O/c20-12-19(6-2-1-3-7-19)27-11-13(9-22-27)23-18-16-14(10-21-26-16)24-17(25-18)15-5-4-8-28-15/h4-5,8-11H,1-3,6-7H2,(H,21,26)(H,23,24,25)
InChIKeyBCDXCDQXXJEFER-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.74
Rot. Bonds4

About 1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile

1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile (PubChem CID 90105262) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile
PubChem CID90105262
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile
SMILESN#CC1(n2cc(Nc3nc(-c4ccco4)nc4cn[nH]c34)cn2)CCCCC1
InChIInChI=1S/C19H18N8O/c20-12-19(6-2-1-3-7-19)27-11-13(9-22-27)23-18-16-14(10-21-26-16)24-17(25-18)15-5-4-8-28-15/h4-5,8-11H,1-3,6-7H2,(H,21,26)(H,23,24,25)
InChIKeyBCDXCDQXXJEFER-UHFFFAOYSA-N
XLogP3.74
TPSA121.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile (CID 90105262) is 1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile is N#CC1(n2cc(Nc3nc(-c4ccco4)nc4cn[nH]c34)cn2)CCCCC1.
What is the InChIKey of 1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is BCDXCDQXXJEFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c20-12-19(6-2-1-3-7-19)27-11-13(9-22-27)23-18-16-14(10-21-26-16)24-17(25-18)15-5-4-8-28-15/h4-5,8-11H,1-3,6-7H2,(H,21,26)(H,23,24,25).
What are the key properties of 1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile?
1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 374.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 90105262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).