[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone

C20H18FN5OS — CID 56928651

IUPAC[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone
SMILESCC(C)(C)c1cc2nc(C(=O)c3ccc(F)cc3)nc(Nc3ccn[nH]3)c2s1
InChIInChI=1S/C20H18FN5OS/c1-20(2,3)14-10-13-17(28-14)19(24-15-8-9-22-26-15)25-18(23-13)16(27)11-4-6-12(21)7-5-11/h4-10H,1-3H3,(H2,22,23,24,25,26)
InChIKeyOAXXQBISTVMZGP-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.83
Rot. Bonds4

About [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone

[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone (PubChem CID 56928651) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone
PubChem CID56928651
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone
SMILESCC(C)(C)c1cc2nc(C(=O)c3ccc(F)cc3)nc(Nc3ccn[nH]3)c2s1
InChIInChI=1S/C20H18FN5OS/c1-20(2,3)14-10-13-17(28-14)19(24-15-8-9-22-26-15)25-18(23-13)16(27)11-4-6-12(21)7-5-11/h4-10H,1-3H3,(H2,22,23,24,25,26)
InChIKeyOAXXQBISTVMZGP-UHFFFAOYSA-N
XLogP4.83
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone (CID 56928651) is [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone is CC(C)(C)c1cc2nc(C(=O)c3ccc(F)cc3)nc(Nc3ccn[nH]3)c2s1.
What is the InChIKey of [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is OAXXQBISTVMZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-20(2,3)14-10-13-17(28-14)19(24-15-8-9-22-26-15)25-18(23-13)16(27)11-4-6-12(21)7-5-11/h4-10H,1-3H3,(H2,22,23,24,25,26).
What are the key properties of [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone?
[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 395.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 56928651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).