3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile

C18H22N8S — CID 146644772

IUPAC3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile
SMILESCc1cc(Nc2nc(NC3CCN(CCC#N)CC3)nc3sccc23)n[nH]1
InChIInChI=1S/C18H22N8S/c1-12-11-15(25-24-12)21-16-14-5-10-27-17(14)23-18(22-16)20-13-3-8-26(9-4-13)7-2-6-19/h5,10-11,13H,2-4,7-9H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyFTKVFPJZRNVNFH-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.26
Rot. Bonds6

About 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile

3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile (PubChem CID 146644772) has the molecular formula C18H22N8S and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile
PubChem CID146644772
Molecular FormulaC18H22N8S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC Name3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile
SMILESCc1cc(Nc2nc(NC3CCN(CCC#N)CC3)nc3sccc23)n[nH]1
InChIInChI=1S/C18H22N8S/c1-12-11-15(25-24-12)21-16-14-5-10-27-17(14)23-18(22-16)20-13-3-8-26(9-4-13)7-2-6-19/h5,10-11,13H,2-4,7-9H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyFTKVFPJZRNVNFH-UHFFFAOYSA-N
XLogP3.26
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile with MolForge

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Related Compounds

CID 53609040
CID 53609040
CID 168868692
CID 168868692
CID 168868709
CID 168868709
CID 97282235
CID 97282235
CID 138029960
CID 138029960
CID 46982740
CID 46982740
CID 146644773
CID 146644773
CID 146644777
CID 146644777
CID 146644871
CID 146644871
CID 146644872
CID 146644872
CID 146644882
CID 146644882
CID 146644991
CID 146644991

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile (CID 146644772) is 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile is Cc1cc(Nc2nc(NC3CCN(CCC#N)CC3)nc3sccc23)n[nH]1.
What is the InChIKey of 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile?
The InChIKey is FTKVFPJZRNVNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8S/c1-12-11-15(25-24-12)21-16-14-5-10-27-17(14)23-18(22-16)20-13-3-8-26(9-4-13)7-2-6-19/h5,10-11,13H,2-4,7-9H2,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile?
3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile has a molecular weight of 382.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile is sourced from PubChem (CID 146644772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).