dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol

C18H21N7OS — CID 58879997

IUPACdimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol
SMILESCc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sc1C(O)N(C)C
InChIInChI=1S/C18H21N7OS/c1-11-7-14(27-15(11)18(26)23(2)3)22-16-17-20-9-13(25(17)6-5-19-16)12-8-21-24(4)10-12/h5-10,18,26H,1-4H3,(H,19,22)
InChIKeyQMNUOECBBHZXOV-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.80
Rot. Bonds5

About dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol

dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol (PubChem CID 58879997) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol.

Molecular Properties

Compound Namedimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol
PubChem CID58879997
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC Namedimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol
SMILESCc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sc1C(O)N(C)C
InChIInChI=1S/C18H21N7OS/c1-11-7-14(27-15(11)18(26)23(2)3)22-16-17-20-9-13(25(17)6-5-19-16)12-8-21-24(4)10-12/h5-10,18,26H,1-4H3,(H,19,22)
InChIKeyQMNUOECBBHZXOV-UHFFFAOYSA-N
XLogP2.80
TPSA83.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol?
The IUPAC name of dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol (CID 58879997) is dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol.
What is the SMILES notation for dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol?
The canonical SMILES for dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol is Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sc1C(O)N(C)C.
What is the InChIKey of dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol?
The InChIKey is QMNUOECBBHZXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-11-7-14(27-15(11)18(26)23(2)3)22-16-17-20-9-13(25(17)6-5-19-16)12-8-21-24(4)10-12/h5-10,18,26H,1-4H3,(H,19,22).
What are the key properties of dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol?
dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol has a molecular weight of 383.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]methanol is sourced from PubChem (CID 58879997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).